2-carbamoylbenzoic acid

C8H7NO3 — CID 6957

IUPAC2-carbamoylbenzoic acid
SMILESNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyCYMRPDYINXWJFU-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.48
Rot. Bonds2

About 2-carbamoylbenzoic acid

2-carbamoylbenzoic acid (PubChem CID 6957) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-carbamoylbenzoic acid.

Molecular Properties

Compound Name2-carbamoylbenzoic acid
PubChem CID6957
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2-carbamoylbenzoic acid
SMILESNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyCYMRPDYINXWJFU-UHFFFAOYSA-N
XLogP0.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-carbamoylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Carbamoylbenzoic acid
CID 506057
2-Hydroxymethyl-benzoic acid hydrazide
CID 313973
2-[(Hydroxymethyl)carbamoyl]benzoic acid
CID 23820659
3-(4-Carbamoylphenyl)benzoic acid
CID 126484502
PaAMOM
CID 139596581
2-(Methylsulfanylmethylcarbamoyl)benzoic acid
CID 139597069
2-{[(4-Fluorobenzyl)amino]carbonyl}benzoic acid
CID 3240677
2-{[(2-Methylbenzyl)amino]carbonyl}benzoic acid
CID 7315336
O-(Piperidinocarbonyl)-benzoic acid
CID 30108
2-((Bis(1-methylethyl)amino)carbonyl)benzoic acid
CID 209756
o-(Hydroxymethyl)benzamide
CID 99176
2-(Dimethylcarbamoyl)benzoic acid
CID 348589

Frequently Asked Questions

What is the IUPAC name of 2-carbamoylbenzoic acid?
The IUPAC name of 2-carbamoylbenzoic acid (CID 6957) is 2-carbamoylbenzoic acid.
What is the SMILES notation for 2-carbamoylbenzoic acid?
The canonical SMILES for 2-carbamoylbenzoic acid is NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-carbamoylbenzoic acid?
The InChIKey is CYMRPDYINXWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12).
What are the key properties of 2-carbamoylbenzoic acid?
2-carbamoylbenzoic acid has a molecular weight of 165.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylbenzoic acid is sourced from PubChem (CID 6957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).