2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid

C15H13FN2O3 — CID 61158484

IUPAC2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(F)ccc2C(=O)O)cc1N
InChIInChI=1S/C15H13FN2O3/c1-8-2-3-9(6-12(8)17)14(19)18-13-7-10(16)4-5-11(13)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyIVQYBVUNSIARCW-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.67
Rot. Bonds3

About 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid

2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid (PubChem CID 61158484) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
PubChem CID61158484
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(F)ccc2C(=O)O)cc1N
InChIInChI=1S/C15H13FN2O3/c1-8-2-3-9(6-12(8)17)14(19)18-13-7-10(16)4-5-11(13)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyIVQYBVUNSIARCW-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-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
4-fluoro-2-(thiophene-3-carbonylamino)benzoic acid
CID 16788115
2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
CID 170549186
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid (CID 61158484) is 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid is Cc1ccc(C(=O)Nc2cc(F)ccc2C(=O)O)cc1N.
What is the InChIKey of 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The InChIKey is IVQYBVUNSIARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-8-2-3-9(6-12(8)17)14(19)18-13-7-10(16)4-5-11(13)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic 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 2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 61158484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).