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

C22H17FN2O5 — CID 54762183

IUPAC2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H17FN2O5/c1-30-13-10-11-16(22(28)29)19(12-13)25-21(27)15-7-3-5-9-18(15)24-20(26)14-6-2-4-8-17(14)23/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyHUOKHNFCCRNMIH-UHFFFAOYSA-N
MW408.39 g/mol
LogP4.04
Rot. Bonds6

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

2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid (PubChem CID 54762183) has the molecular formula C22H17FN2O5 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid
PubChem CID54762183
Molecular FormulaC22H17FN2O5
Molecular Weight408.39 g/mol
Exact Mass408.11
IUPAC Name2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H17FN2O5/c1-30-13-10-11-16(22(28)29)19(12-13)25-21(27)15-7-3-5-9-18(15)24-20(26)14-6-2-4-8-17(14)23/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyHUOKHNFCCRNMIH-UHFFFAOYSA-N
XLogP4.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Anthranilic acid, N-(3-methoxyphenyl)-
CID 119702
Avenanthramide G
CID 12003326
2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
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2-[3-[4-(2-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11595935
2-[3-[4-(4-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11617732
2-[3-[4-(3-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11646494
2-[(4-Ethoxybenzoyl)amino]benzoic acid
CID 590977
2-(4-Methoxybenzamido)benzoic acid
CID 721421
7-Methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
CID 1085177
Avenanthramide 2
CID 101228785
ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate
CID 71451663
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 804546

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid (CID 54762183) is 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid?
The InChIKey is HUOKHNFCCRNMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O5/c1-30-13-10-11-16(22(28)29)19(12-13)25-21(27)15-7-3-5-9-18(15)24-20(26)14-6-2-4-8-17(14)23/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid?
2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid has a molecular weight of 408.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorobenzoyl)amino]benzoyl]amino]-4-methoxybenzoic acid is sourced from PubChem (CID 54762183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).