2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid

C21H17NO5 — CID 46853580

IUPAC2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
SMILESCOc1cccc(C(=O)Nc2cc(-c3ccccc3)ccc2C(=O)O)c1O
InChIInChI=1S/C21H17NO5/c1-27-18-9-5-8-16(19(18)23)20(24)22-17-12-14(10-11-15(17)21(25)26)13-6-3-2-4-7-13/h2-12,23H,1H3,(H,22,24)(H,25,26)
InChIKeyJABFWACCUBPPCR-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.02
Rot. Bonds5

About 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid

2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid (PubChem CID 46853580) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
PubChem CID46853580
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
SMILESCOc1cccc(C(=O)Nc2cc(-c3ccccc3)ccc2C(=O)O)c1O
InChIInChI=1S/C21H17NO5/c1-27-18-9-5-8-16(19(18)23)20(24)22-17-12-14(10-11-15(17)21(25)26)13-6-3-2-4-7-13/h2-12,23H,1H3,(H,22,24)(H,25,26)
InChIKeyJABFWACCUBPPCR-UHFFFAOYSA-N
XLogP4.02
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
CID 89038090
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 29286272
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid (CID 46853580) is 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid is COc1cccc(C(=O)Nc2cc(-c3ccccc3)ccc2C(=O)O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid?
The InChIKey is JABFWACCUBPPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-27-18-9-5-8-16(19(18)23)20(24)22-17-12-14(10-11-15(17)21(25)26)13-6-3-2-4-7-13/h2-12,23H,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid?
2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid has a molecular weight of 363.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid is sourced from PubChem (CID 46853580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).