4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid

C21H14F3NO3 — CID 67344510

IUPAC4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)16-8-4-7-15(11-16)19(26)25-18-12-14(9-10-17(18)20(27)28)13-5-2-1-3-6-13/h1-12H,(H,25,26)(H,27,28)
InChIKeyCTYFKDPUGYWTIH-UHFFFAOYSA-N
MW385.34 g/mol
LogP5.32
Rot. Bonds4

About 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid

4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid (PubChem CID 67344510) has the molecular formula C21H14F3NO3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
PubChem CID67344510
Molecular FormulaC21H14F3NO3
Molecular Weight385.34 g/mol
Exact Mass385.09
IUPAC Name4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)16-8-4-7-15(11-16)19(26)25-18-12-14(9-10-17(18)20(27)28)13-5-2-1-3-6-13/h1-12H,(H,25,26)(H,27,28)
InChIKeyCTYFKDPUGYWTIH-UHFFFAOYSA-N
XLogP5.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-phenylethenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175255475
2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195
2-[(3-acetyloxybenzoyl)amino]-4-phenylbenzoic acid;ethane
CID 143240188
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid (CID 67344510) is 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid?
The InChIKey is CTYFKDPUGYWTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO3/c22-21(23,24)16-8-4-7-15(11-16)19(26)25-18-12-14(9-10-17(18)20(27)28)13-5-2-1-3-6-13/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid?
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid has a molecular weight of 385.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 67344510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).