3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid

C15H13NO4 — CID 53227053

IUPAC3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
SMILESCNC(=O)c1cccc(-c2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C15H13NO4/c1-16-14(18)10-4-2-3-9(7-10)12-6-5-11(15(19)20)8-13(12)17/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyFIWBJCZWXJEKTQ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.12
Rot. Bonds3

About 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid

3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid (PubChem CID 53227053) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
PubChem CID53227053
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
SMILESCNC(=O)c1cccc(-c2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C15H13NO4/c1-16-14(18)10-4-2-3-9(7-10)12-6-5-11(15(19)20)8-13(12)17/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyFIWBJCZWXJEKTQ-UHFFFAOYSA-N
XLogP2.12
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
CID 53217910
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
CID 171115617
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
CID 53223665
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
3-(4-carboxyphenyl)benzoic acid
CID 11550488
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid (CID 53227053) is 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid is CNC(=O)c1cccc(-c2ccc(C(=O)O)cc2O)c1.
What is the InChIKey of 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid?
The InChIKey is FIWBJCZWXJEKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-16-14(18)10-4-2-3-9(7-10)12-6-5-11(15(19)20)8-13(12)17/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid?
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 53227053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).