3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C15H18ClNO3 — CID 103549956

IUPAC3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-9(10-3-2-4-13(16)8-10)17-14(18)11-5-6-12(7-11)15(19)20/h2-4,8-9,11-12H,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyQKOHRIDAQJMCMW-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.02
Rot. Bonds4

About 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549956) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549956
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-9(10-3-2-4-13(16)8-10)17-14(18)11-5-6-12(7-11)15(19)20/h2-4,8-9,11-12H,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyQKOHRIDAQJMCMW-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675394
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103549956) is 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CC(NC(=O)C1CCC(C(=O)O)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is QKOHRIDAQJMCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9(10-3-2-4-13(16)8-10)17-14(18)11-5-6-12(7-11)15(19)20/h2-4,8-9,11-12H,5-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).