N-(2-chlorocyclopentyl)-3-phenoxypropanamide

C14H18ClNO2 — CID 114189389

IUPACN-(2-chlorocyclopentyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCCC1Cl
InChIInChI=1S/C14H18ClNO2/c15-12-7-4-8-13(12)16-14(17)9-10-18-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)
InChIKeyROVFVOSCDIHVBN-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.73
Rot. Bonds5

About N-(2-chlorocyclopentyl)-3-phenoxypropanamide

N-(2-chlorocyclopentyl)-3-phenoxypropanamide (PubChem CID 114189389) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-3-phenoxypropanamide
PubChem CID114189389
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(2-chlorocyclopentyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCCC1Cl
InChIInChI=1S/C14H18ClNO2/c15-12-7-4-8-13(12)16-14(17)9-10-18-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)
InChIKeyROVFVOSCDIHVBN-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chlorocyclopentyl)-3-phenoxypropanamide 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

2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64814516
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
CID 43594528
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
3-(3-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103774376
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-chlorocyclopentyl)-3-phenoxypropanamide (CID 114189389) is N-(2-chlorocyclopentyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC1CCCC1Cl.
What is the InChIKey of N-(2-chlorocyclopentyl)-3-phenoxypropanamide?
The InChIKey is ROVFVOSCDIHVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-7-4-8-13(12)16-14(17)9-10-18-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17).
What are the key properties of N-(2-chlorocyclopentyl)-3-phenoxypropanamide?
N-(2-chlorocyclopentyl)-3-phenoxypropanamide has a molecular weight of 267.76 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-3-phenoxypropanamide is sourced from PubChem (CID 114189389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).