2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid

C15H13NO4 — CID 110483824

IUPAC2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C15H13NO4/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(19)20/h1-8,17H,9H2,(H,16,18)(H,19,20)
InChIKeyLQKXOWVSETUQDE-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.02
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid

2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid (PubChem CID 110483824) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
PubChem CID110483824
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C15H13NO4/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(19)20/h1-8,17H,9H2,(H,16,18)(H,19,20)
InChIKeyLQKXOWVSETUQDE-UHFFFAOYSA-N
XLogP2.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
CID 66717184
CID 66717184
4-(benzamidomethyl)benzoic acid
CID 10879683
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid (CID 110483824) is 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid?
The InChIKey is LQKXOWVSETUQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(19)20/h1-8,17H,9H2,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid?
2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 110483824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).