2-benzamido-4-hydroxy-5-methoxybenzoic acid

C15H13NO5 — CID 71325252

IUPAC2-benzamido-4-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(NC(=O)c2ccccc2)cc1O
InChIInChI=1S/C15H13NO5/c1-21-13-7-10(15(19)20)11(8-12(13)17)16-14(18)9-5-3-2-4-6-9/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyVGBPTSCYLBFZHI-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.35
Rot. Bonds4

About 2-benzamido-4-hydroxy-5-methoxybenzoic acid

2-benzamido-4-hydroxy-5-methoxybenzoic acid (PubChem CID 71325252) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-benzamido-4-hydroxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-benzamido-4-hydroxy-5-methoxybenzoic acid
PubChem CID71325252
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-benzamido-4-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(NC(=O)c2ccccc2)cc1O
InChIInChI=1S/C15H13NO5/c1-21-13-7-10(15(19)20)11(8-12(13)17)16-14(18)9-5-3-2-4-6-9/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyVGBPTSCYLBFZHI-UHFFFAOYSA-N
XLogP2.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 16774874
N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119403063

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-hydroxy-5-methoxybenzoic acid?
The IUPAC name of 2-benzamido-4-hydroxy-5-methoxybenzoic acid (CID 71325252) is 2-benzamido-4-hydroxy-5-methoxybenzoic acid.
What is the SMILES notation for 2-benzamido-4-hydroxy-5-methoxybenzoic acid?
The canonical SMILES for 2-benzamido-4-hydroxy-5-methoxybenzoic acid is COc1cc(C(=O)O)c(NC(=O)c2ccccc2)cc1O.
What is the InChIKey of 2-benzamido-4-hydroxy-5-methoxybenzoic acid?
The InChIKey is VGBPTSCYLBFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-21-13-7-10(15(19)20)11(8-12(13)17)16-14(18)9-5-3-2-4-6-9/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-benzamido-4-hydroxy-5-methoxybenzoic acid?
2-benzamido-4-hydroxy-5-methoxybenzoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-hydroxy-5-methoxybenzoic acid is sourced from PubChem (CID 71325252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).