4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid

C14H11FN2O4 — CID 107674554

IUPAC4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C14H11FN2O4/c15-11-6-8(18)2-4-9(11)13(19)17-12-5-7(16)1-3-10(12)14(20)21/h1-6,18H,16H2,(H,17,19)(H,20,21)
InChIKeyJURXRNYLPAPLGB-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.06
Rot. Bonds3

About 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid

4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107674554) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
PubChem CID107674554
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C14H11FN2O4/c15-11-6-8(18)2-4-9(11)13(19)17-12-5-7(16)1-3-10(12)14(20)21/h1-6,18H,16H2,(H,17,19)(H,20,21)
InChIKeyJURXRNYLPAPLGB-UHFFFAOYSA-N
XLogP2.06
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107675143
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 63116147
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
4-amino-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727925

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (CID 107674554) is 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)c2ccc(O)cc2F)c1.
What is the InChIKey of 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is JURXRNYLPAPLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-11-6-8(18)2-4-9(11)13(19)17-12-5-7(16)1-3-10(12)14(20)21/h1-6,18H,16H2,(H,17,19)(H,20,21).
What are the key properties of 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 290.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107674554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).