2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid

C21H17NO5 — CID 11990538

IUPAC2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
SMILESCOc1cc(Oc2ccccc2)ccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H17NO5/c1-26-19-13-15(27-14-7-3-2-4-8-14)11-12-17(19)20(23)22-18-10-6-5-9-16(18)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyWDXYHDBZCTUFSE-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.44
Rot. Bonds6

About 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid

2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid (PubChem CID 11990538) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
PubChem CID11990538
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
SMILESCOc1cc(Oc2ccccc2)ccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H17NO5/c1-26-19-13-15(27-14-7-3-2-4-8-14)11-12-17(19)20(23)22-18-10-6-5-9-16(18)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyWDXYHDBZCTUFSE-UHFFFAOYSA-N
XLogP4.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
CID 45436153
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
CID 11990480
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid (CID 11990538) is 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid is COc1cc(Oc2ccccc2)ccc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid?
The InChIKey is WDXYHDBZCTUFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-26-19-13-15(27-14-7-3-2-4-8-14)11-12-17(19)20(23)22-18-10-6-5-9-16(18)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid?
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid has a molecular weight of 363.37 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 11990538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).