4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid

C15H13FN2O3 — CID 43714021

IUPAC4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H13FN2O3/c1-8-6-9(15(20)21)2-5-13(8)18-14(19)11-7-10(16)3-4-12(11)17/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyAFNFRCYTDGMPRL-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.67
Rot. Bonds3

About 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid

4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid (PubChem CID 43714021) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
PubChem CID43714021
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H13FN2O3/c1-8-6-9(15(20)21)2-5-13(8)18-14(19)11-7-10(16)3-4-12(11)17/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyAFNFRCYTDGMPRL-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

4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
3-amino-4-(4-fluoro-2-methylanilino)benzoic acid
CID 54888083
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid (CID 43714021) is 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is AFNFRCYTDGMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-8-6-9(15(20)21)2-5-13(8)18-14(19)11-7-10(16)3-4-12(11)17/h2-7H,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
4-[(2-amino-5-fluorobenzoyl)amino]-3-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 4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 43714021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).