2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid

C15H12FNO4 — CID 62514253

IUPAC2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2ccc(O)cc2C(=O)O)c1
InChIInChI=1S/C15H12FNO4/c1-8-2-4-12(16)10(6-8)14(19)17-13-5-3-9(18)7-11(13)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyPRRPICQXWVUBKE-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid

2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid (PubChem CID 62514253) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
PubChem CID62514253
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2ccc(O)cc2C(=O)O)c1
InChIInChI=1S/C15H12FNO4/c1-8-2-4-12(16)10(6-8)14(19)17-13-5-3-9(18)7-11(13)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyPRRPICQXWVUBKE-UHFFFAOYSA-N
XLogP2.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic 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

2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
2-fluoro-N-(3-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 64794363
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid (CID 62514253) is 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid is Cc1ccc(F)c(C(=O)Nc2ccc(O)cc2C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid?
The InChIKey is PRRPICQXWVUBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-2-4-12(16)10(6-8)14(19)17-13-5-3-9(18)7-11(13)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid?
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 62514253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).