N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C27H19F3N2O2 — CID 70143092

IUPACN-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C27H19F3N2O2/c28-27(29,30)20-15-13-18(14-16-20)23-11-4-5-12-24(23)26(34)32-22-10-6-7-19(17-22)25(33)31-21-8-2-1-3-9-21/h1-17H,(H,31,33)(H,32,34)
InChIKeyCUUQSQLWFQYNJN-UHFFFAOYSA-N
MW460.46 g/mol
LogP6.88
Rot. Bonds5

About N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 70143092) has the molecular formula C27H19F3N2O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID70143092
Molecular FormulaC27H19F3N2O2
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC NameN-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C27H19F3N2O2/c28-27(29,30)20-15-13-18(14-16-20)23-11-4-5-12-24(23)26(34)32-22-10-6-7-19(17-22)25(33)31-21-8-2-1-3-9-21/h1-17H,(H,31,33)(H,32,34)
InChIKeyCUUQSQLWFQYNJN-UHFFFAOYSA-N
XLogP6.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144706
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144762
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[3-(2-nitroethenyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 54467924
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 70143092) is N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CUUQSQLWFQYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N2O2/c28-27(29,30)20-15-13-18(14-16-20)23-11-4-5-12-24(23)26(34)32-22-10-6-7-19(17-22)25(33)31-21-8-2-1-3-9-21/h1-17H,(H,31,33)(H,32,34).
What are the key properties of N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.46 g/mol, XLogP of 6.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 70143092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).