2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid

C16H15NO4 — CID 60951116

IUPAC2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-17(10-11-5-4-6-12(18)9-11)15(19)13-7-2-3-8-14(13)16(20)21/h2-9,18H,10H2,1H3,(H,20,21)
InChIKeySOBNVEXGMJQJRY-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.36
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid

2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid (PubChem CID 60951116) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
PubChem CID60951116
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-17(10-11-5-4-6-12(18)9-11)15(19)13-7-2-3-8-14(13)16(20)21/h2-9,18H,10H2,1H3,(H,20,21)
InChIKeySOBNVEXGMJQJRY-UHFFFAOYSA-N
XLogP2.36
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide
CID 146122582
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid (CID 60951116) is 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid is CN(Cc1cccc(O)c1)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid?
The InChIKey is SOBNVEXGMJQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17(10-11-5-4-6-12(18)9-11)15(19)13-7-2-3-8-14(13)16(20)21/h2-9,18H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid?
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 60951116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).