2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid

C15H12ClNO3 — CID 3616159

IUPAC2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeySADGXAYKDYFNTN-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.97
Rot. Bonds4

About 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid

2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid (PubChem CID 3616159) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid
PubChem CID3616159
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeySADGXAYKDYFNTN-UHFFFAOYSA-N
XLogP2.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3606549
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N-benzyl-2-(hydroxymethyl)benzamide
CID 826787
2-{[(4-Fluorobenzyl)amino]carbonyl}benzoic acid
CID 3240677
2-{[(2-Methylbenzyl)amino]carbonyl}benzoic acid
CID 7315336
4'-Chloro-3'-[[[(1-hydroxycycloheptyl)methyl]amino]carbonyl]-[1,1'-biphenyl]-2-carboxylic acid
CID 11531460
2-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzoic acid
CID 2810924
2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 5307375
O-(Piperidinocarbonyl)-benzoic acid
CID 30108
2-(2-Chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid
CID 4715143
2-{[4-(2-Chlorobenzoyl)piperazin-1-yl]carbonyl}benzoic acid
CID 2050560

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid (CID 3616159) is 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid?
The InChIKey is SADGXAYKDYFNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid?
2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid has a molecular weight of 289.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 3616159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).