3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid

C15H12FNO4 — CID 28667508

IUPAC3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H12FNO4/c1-21-13-6-5-10(15(19)20)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyMQUGGTSUJAENQL-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.78
Rot. Bonds4

About 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid

3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid (PubChem CID 28667508) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
PubChem CID28667508
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H12FNO4/c1-21-13-6-5-10(15(19)20)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyMQUGGTSUJAENQL-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

3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55882314
3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid
CID 54445185
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid (CID 28667508) is 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid?
The InChIKey is MQUGGTSUJAENQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-21-13-6-5-10(15(19)20)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid?
3-[(3-fluorobenzoyl)amino]-4-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 3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 28667508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).