4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid

C15H12FNO4 — CID 107208628

IUPAC4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C15H12FNO4/c1-21-13-8-11(6-7-12(13)15(19)20)17-14(18)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyJASJEHPLFJZNIJ-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.78
Rot. Bonds4

About 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid

4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid (PubChem CID 107208628) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
PubChem CID107208628
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C15H12FNO4/c1-21-13-8-11(6-7-12(13)15(19)20)17-14(18)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyJASJEHPLFJZNIJ-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-[4-[(8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-3-methoxyphenyl]-4-fluorobenzamide
CID 142925292
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 16774686
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide
CID 174832575
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107208827

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid (CID 107208628) is 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)c2ccc(F)cc2)ccc1C(=O)O.
What is the InChIKey of 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid?
The InChIKey is JASJEHPLFJZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-21-13-8-11(6-7-12(13)15(19)20)17-14(18)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid?
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).