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

C16H12F3NO3 — CID 16774965

IUPAC3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3NO3/c1-9-5-4-7-11(15(22)23)13(9)20-14(21)10-6-2-3-8-12(10)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyCCXLWSRVFVNKNW-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.96
Rot. Bonds3

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

3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid (PubChem CID 16774965) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
PubChem CID16774965
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3NO3/c1-9-5-4-7-11(15(22)23)13(9)20-14(21)10-6-2-3-8-12(10)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyCCXLWSRVFVNKNW-UHFFFAOYSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid (CID 16774965) is 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid is Cc1cccc(C(=O)O)c1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
The InChIKey is CCXLWSRVFVNKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c1-9-5-4-7-11(15(22)23)13(9)20-14(21)10-6-2-3-8-12(10)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid has a molecular weight of 323.27 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 16774965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).