3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid

C15H11F2NO3 — CID 82798153

IUPAC3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2cccc(C(=O)O)c2)c1F
InChIInChI=1S/C15H11F2NO3/c1-8-5-6-11(16)12(13(8)17)14(19)18-10-4-2-3-9(7-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyMFNAULIWKNSLHO-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.22
Rot. Bonds3

About 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid

3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid (PubChem CID 82798153) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
PubChem CID82798153
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2cccc(C(=O)O)c2)c1F
InChIInChI=1S/C15H11F2NO3/c1-8-5-6-11(16)12(13(8)17)14(19)18-10-4-2-3-9(7-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyMFNAULIWKNSLHO-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3,6-trifluorobenzoyl)amino]benzoic acid;hydrochloride
CID 67278416
2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 82798846
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethylfuran-3-carbonyl]amino]benzoic acid
CID 1267744
3-(2,6-difluoro-3-methylphenyl)benzoic acid
CID 82822076
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
3-[(2,3,4-trifluorophenyl)carbamoylamino]benzoic acid
CID 108892424
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid (CID 82798153) is 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid is Cc1ccc(F)c(C(=O)Nc2cccc(C(=O)O)c2)c1F.
What is the InChIKey of 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid?
The InChIKey is MFNAULIWKNSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-8-5-6-11(16)12(13(8)17)14(19)18-10-4-2-3-9(7-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid?
3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid has a molecular weight of 291.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 82798153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).