N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide

C15H20ClNO — CID 100733512

IUPACN-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C15H20ClNO/c16-14-9-7-12(8-10-14)4-3-11-17-15(18)13-5-1-2-6-13/h7-10,13H,1-6,11H2,(H,17,18)
InChIKeyOWXZHQZYFQYILN-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.58
Rot. Bonds5

About N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide

N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide (PubChem CID 100733512) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
PubChem CID100733512
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C15H20ClNO/c16-14-9-7-12(8-10-14)4-3-11-17-15(18)13-5-1-2-6-13/h7-10,13H,1-6,11H2,(H,17,18)
InChIKeyOWXZHQZYFQYILN-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014408
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113056239
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
N-[3-(4-chlorophenyl)propyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773378
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide (CID 100733512) is N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide is O=C(NCCCc1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide?
The InChIKey is OWXZHQZYFQYILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-9-7-12(8-10-14)4-3-11-17-15(18)13-5-1-2-6-13/h7-10,13H,1-6,11H2,(H,17,18).
What are the key properties of N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide?
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide has a molecular weight of 265.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 100733512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).