2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid

C16H14ClNO3 — CID 43399735

IUPAC2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
SMILESCC(NC(=O)c1ccccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyZVCLACWVEMUVPO-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.53
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid

2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid (PubChem CID 43399735) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
PubChem CID43399735
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
SMILESCC(NC(=O)c1ccccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyZVCLACWVEMUVPO-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-nitrobenzamide
CID 800221
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-[[(1R)-1-(3-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 81369000
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid (CID 43399735) is 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid is CC(NC(=O)c1ccccc1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
The InChIKey is ZVCLACWVEMUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid?
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 43399735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).