N-benzhydryl-3-(trifluoromethyl)benzamide

C21H16F3NO — CID 3549490

IUPACN-benzhydryl-3-(trifluoromethyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)18-13-7-12-17(14-18)20(26)25-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,25,26)
InChIKeyGDQCFDQJJBQMNP-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.22
Rot. Bonds4

About N-benzhydryl-3-(trifluoromethyl)benzamide

N-benzhydryl-3-(trifluoromethyl)benzamide (PubChem CID 3549490) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is N-benzhydryl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-benzhydryl-3-(trifluoromethyl)benzamide
PubChem CID3549490
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC NameN-benzhydryl-3-(trifluoromethyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)18-13-7-12-17(14-18)20(26)25-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,25,26)
InChIKeyGDQCFDQJJBQMNP-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854042
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673707
N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
CID 134118431
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 103926700
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 9437907
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
N-(diformamidomethyl)-3-(trifluoromethyl)benzamide
CID 11087484
N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
CID 177013336
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-benzhydryl-3-(trifluoromethyl)benzamide (CID 3549490) is N-benzhydryl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-benzhydryl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-benzhydryl-3-(trifluoromethyl)benzamide is O=C(NC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzhydryl-3-(trifluoromethyl)benzamide?
The InChIKey is GDQCFDQJJBQMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c22-21(23,24)18-13-7-12-17(14-18)20(26)25-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,25,26).
What are the key properties of N-benzhydryl-3-(trifluoromethyl)benzamide?
N-benzhydryl-3-(trifluoromethyl)benzamide has a molecular weight of 355.36 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3549490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).