2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid

C15H12FNO4 — CID 61405723

IUPAC2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1F
InChIInChI=1S/C15H12FNO4/c1-8-2-3-9(6-12(8)16)14(19)17-13-5-4-10(18)7-11(13)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBNPDLHCGEZDMLW-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

About 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid

2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid (PubChem CID 61405723) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
PubChem CID61405723
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1F
InChIInChI=1S/C15H12FNO4/c1-8-2-3-9(6-12(8)16)14(19)17-13-5-4-10(18)7-11(13)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBNPDLHCGEZDMLW-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'}

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Related Compounds

N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
2-[[3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoyl]amino]-5-hydroxybenzoic acid
CID 17370705
5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818932
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid (CID 61405723) is 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid is Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid?
The InChIKey is BNPDLHCGEZDMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-2-3-9(6-12(8)16)14(19)17-13-5-4-10(18)7-11(13)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid?
2-[(3-fluoro-4-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-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61405723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).