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

C14H11FN2O3 — CID 103869169

IUPAC4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
SMILESNc1cccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C14H11FN2O3/c15-12-7-10(4-5-11(12)14(19)20)17-13(18)8-2-1-3-9(16)6-8/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyNARHHYJLTBTNLR-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.36
Rot. Bonds3

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

4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid (PubChem CID 103869169) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
PubChem CID103869169
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
SMILESNc1cccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C14H11FN2O3/c15-12-7-10(4-5-11(12)14(19)20)17-13(18)8-2-1-3-9(16)6-8/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyNARHHYJLTBTNLR-UHFFFAOYSA-N
XLogP2.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.36
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

2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
CID 107792618
2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid
CID 58420615
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid (CID 103869169) is 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid is Nc1cccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)c1.
What is the InChIKey of 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid?
The InChIKey is NARHHYJLTBTNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-12-7-10(4-5-11(12)14(19)20)17-13(18)8-2-1-3-9(16)6-8/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid?
4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid has a molecular weight of 274.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 103869169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).