3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid

C15H13FN2O3 — CID 63188108

IUPAC3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccc(N)c(F)c2)cccc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c1-8-10(15(20)21)3-2-4-13(8)18-14(19)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyICAKCQIVRNVYHO-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.67
Rot. Bonds3

About 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid

3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid (PubChem CID 63188108) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
PubChem CID63188108
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccc(N)c(F)c2)cccc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c1-8-10(15(20)21)3-2-4-13(8)18-14(19)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyICAKCQIVRNVYHO-UHFFFAOYSA-N
XLogP2.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 61295104
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
CID 170549186
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid (CID 63188108) is 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid is Cc1c(NC(=O)c2ccc(N)c(F)c2)cccc1C(=O)O.
What is the InChIKey of 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is ICAKCQIVRNVYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-8-10(15(20)21)3-2-4-13(8)18-14(19)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid?
3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63188108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).