N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide

C15H20ClNO2 — CID 110014408

IUPACN-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)C1CCCC1O
InChIInChI=1S/C15H20ClNO2/c16-12-8-6-11(7-9-12)3-2-10-17-15(19)13-4-1-5-14(13)18/h6-9,13-14,18H,1-5,10H2,(H,17,19)
InChIKeyBILBPUAYJCPTGX-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.55
Rot. Bonds5

About N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide

N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014408) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014408
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)C1CCCC1O
InChIInChI=1S/C15H20ClNO2/c16-12-8-6-11(7-9-12)3-2-10-17-15(19)13-4-1-5-14(13)18/h6-9,13-14,18H,1-5,10H2,(H,17,19)
InChIKeyBILBPUAYJCPTGX-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide 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

N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-butoxyphenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015298
trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide (CID 110014408) is N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide is O=C(NCCCc1ccc(Cl)cc1)C1CCCC1O.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is BILBPUAYJCPTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-12-8-6-11(7-9-12)3-2-10-17-15(19)13-4-1-5-14(13)18/h6-9,13-14,18H,1-5,10H2,(H,17,19).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).