Chemical Properties of N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,2-trifluoroacetamide)

N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,2-trifluoroacetamide)

InChI
InChI=1S/C17H10Cl2F6N2O2/c18-10-6-8(1-3-12(10)26-14(28)16(20,21)22)5-9-2-4-13(11(19)7-9)27-15(29)17(23,24)25/h1-4,6-7H,5H2,(H,26,28)(H,27,29)
InChI Key
XOAPUMLLYZSBIT-UHFFFAOYSA-N
Formula
C17H10Cl2F6N2O2
SMILES
O=C(Nc1ccc(Cc2ccc(NC(=O)C(F)(F)F)c(Cl)c2)cc1Cl)C(F)(F)F
Molecular Weight1
459.17
Other Names
  • Acetamide, N,N'-[methylenebis(2-chloro-4,1-phenylene)]bis[2,2,2-trifluoro-
  • N,N'-[Methanediylbis(2-chlorobenzene-4,1-diyl)]bis(2,2,2-trifluoroacetamide)
  • N-[2-Chloro-4-[[3-chloro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]-2,2,2-trifluoroacetamide
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Physical Properties

Property Value Unit Source
ω 0.8008 Relay (1.0) Calculated Property
ΔfG° -987.54 kJ/mol Joback Calculated Property
ΔfH°gas -1455.48 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 51.75 kJ/mol Joback Calculated Property
ΔvapH° 116.42 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS -6.33 Relay (1.0) Calculated Property
logPoct/wat 5.586 Crippen Calculated Property
McVol 261.070 ml/mol McGowan Calculated Property
Pc 1733.22 kPa Joback Calculated Property
Inp 2453.00 NIST
Tboil 633.50 K Relay (1.0) Calculated Property
Tc 940.39 K Relay (1.0) Calculated Property
Tfus 430.49 K Relay (1.0) Calculated Property
Vc 0.912 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [746.44; 788.36] J/mol×K [933.74; 1155.29] Show Hide
Cp,gas 746.44 J/mol×K 933.74 Joback Calculated Property
Cp,gas 754.76 J/mol×K 970.66 Joback Calculated Property
Cp,gas 762.40 J/mol×K 1007.59 Joback Calculated Property
Cp,gas 769.48 J/mol×K 1044.51 Joback Calculated Property
Cp,gas 776.10 J/mol×K 1081.44 Joback Calculated Property
Cp,gas 782.36 J/mol×K 1118.36 Joback Calculated Property
Cp,gas 788.36 J/mol×K 1155.29 Joback Calculated Property

Similar Compounds

N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,3,3,3-pentafluoropropionamide). N-(2-chloro-4-(3-chloro-4-[(trifluoroacetyl)amino]benzyl)phenyl)-N-(trifluoroacetyl)-2,2,2-trifluoroacetamide. N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,3,3,4,4,4-heptafluorobutanamide). N-(2-Chloro-4-(3-chloro-4-[(2,2,3,3,3-pentafluoropropanoyl)amino]benzyl)phenyl)-2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide. N-(2-Chloro-4-methylphenyl)-2,2,2-trifluoroacetamide. N,N'-[Methylenebis(2-chloro-4,1-phenylene)]tetra(2,2,2-trifluoroacetamide). N-(2-Chloro-4-methylphenyl)acetamide. Benzenamine, 4,4'-methylenebis[2-chloro-. Acetamide, N-9H-fluoren-2-yl-2,2,2-trifluoro-. Benzophenone, 2-acetamino-2',5-dichloro-. Clorazepate M (hydroxy-), isomer 1, hydrolysis, acetylated. Clonazepam M (amino-), hydrolysis, acetylated. Nordazepam M (hydroxymethoxy-), hydrolysis, acetylated. 3'-chloro,4'-methylpelargoanilide. 3'-chloro,4'-methylenanthoanilide.

Find more compounds similar to N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,2-trifluoroacetamide).

Sources

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