N-(5-(Benzyloxy)-2,4-dichlorophenyl)-3-(trifluoromethyl)benzenecarboxamide
Basic information
- CAS
338961-19-6- Standard SMILES
O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1cccc(C(F)(F)F)c1- InChIKey
PVWKMDDIEQAGRB-UHFFFAOYSA-N- Molecular formula
- C21H14Cl2F3NO2
- Average molar mass
- 440.2 g/mol
Names & identifiers
- Preferred name
- N-(5-(Benzyloxy)-2,4-dichlorophenyl)-3-(trifluoromethyl)benzenecarboxamide
- IUPAC
- N-(2,4-dichloro-5-phenylmethoxyphenyl)-3-(trifluoromethyl)benzamide
- English name
- N-[5-(Benzyloxy)-2,4-dichlorophenyl]-3-(trifluoromethyl)benzenecarboxamide
- Molecular formula
- C21H14Cl2F3NO2
- Molecular weight
- 440.24
Names & synonyms
338961-19-6N-(5-(Benzyloxy)-2,4-dichlorophenyl)-3-(trifluoromethyl)benzenecarboxamideN-(2,4-dichloro-5-phenylmethoxyphenyl)-3-(trifluoromethyl)benzamideN-[5-(benzyloxy)-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamideAKOS0050955995L-574SBenzamide, N-[2,4-dichloro-5-(phenylmethoxy)phenyl]-3-(trifluoromethyl)-N-[5-(Benzyloxy)-2,4-dichlorophenyl]-3-(trifluoromethyl)benzenecarboxamide
Database identifiers
- CAS
338961-19-6
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Boiling point
- 453.7 · 453.7±45.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- pka
- 10.91 · 10.91±0.70(Predicted)
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Related reactions
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Compound notes
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