5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid

C16H15NO5 — CID 578470

IUPAC5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(O)cc2C(=O)O)cc1
InChIInChI=1S/C16H15NO5/c1-22-12-5-2-10(3-6-12)8-15(19)17-14-7-4-11(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyOFSJLEJAHSQUGX-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.28
Rot. Bonds5

About 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid

5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid (PubChem CID 578470) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
PubChem CID578470
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(O)cc2C(=O)O)cc1
InChIInChI=1S/C16H15NO5/c1-22-12-5-2-10(3-6-12)8-15(19)17-14-7-4-11(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyOFSJLEJAHSQUGX-UHFFFAOYSA-N
XLogP2.28
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093
2-[[2-(4-methoxyphenyl)acetyl]amino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CID 50782928
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
CID 8867169
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
2-[[2-[4-(6-hydroxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid;methyl 2-[[2-[4-(6-hydroxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoate
CID 160726685
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 23354625
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 891449
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid (CID 578470) is 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid is COc1ccc(CC(=O)Nc2ccc(O)cc2C(=O)O)cc1.
What is the InChIKey of 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is OFSJLEJAHSQUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-22-12-5-2-10(3-6-12)8-15(19)17-14-7-4-11(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid?
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 578470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).