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

C21H14F3NO3 — CID 71086455

IUPAC2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)15-5-3-4-14(12-15)13-8-10-16(11-9-13)25-19(26)17-6-1-2-7-18(17)20(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyZMTJQLFEYOCJOJ-UHFFFAOYSA-N
MW385.34 g/mol
LogP5.32
Rot. Bonds4

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

2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid (PubChem CID 71086455) has the molecular formula C21H14F3NO3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
PubChem CID71086455
Molecular FormulaC21H14F3NO3
Molecular Weight385.34 g/mol
Exact Mass385.09
IUPAC Name2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)15-5-3-4-14(12-15)13-8-10-16(11-9-13)25-19(26)17-6-1-2-7-18(17)20(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyZMTJQLFEYOCJOJ-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

2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide
CID 71086559
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
2-[[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785193
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22081571
4-[[4-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 58874542
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid (CID 71086455) is 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is ZMTJQLFEYOCJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO3/c22-21(23,24)15-5-3-4-14(12-15)13-8-10-16(11-9-13)25-19(26)17-6-1-2-7-18(17)20(27)28/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid?
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]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 2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 71086455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).