N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide

C18H26ClNO3 — CID 100712883

IUPACN-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1Cl
InChIInChI=1S/C18H26ClNO3/c1-3-11-22-16-8-7-14(13-15(16)19)20-17(21)18(23-12-4-2)9-5-6-10-18/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,21)
InChIKeyHVUXGLOZBUKUIZ-UHFFFAOYSA-N
MW339.86 g/mol
LogP4.81
Rot. Bonds8

About N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide

N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide (PubChem CID 100712883) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
PubChem CID100712883
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC NameN-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1Cl
InChIInChI=1S/C18H26ClNO3/c1-3-11-22-16-8-7-14(13-15(16)19)20-17(21)18(23-12-4-2)9-5-6-10-18/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,21)
InChIKeyHVUXGLOZBUKUIZ-UHFFFAOYSA-N
XLogP4.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-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

cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716342
1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100675916
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246423
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
sodium 1-[2-(3-chloro-4-propoxyanilino)-2-oxoethyl]cyclobutane-1-carboxylate
CID 167850228
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide (CID 100712883) is N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide is CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
The InChIKey is HVUXGLOZBUKUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-3-11-22-16-8-7-14(13-15(16)19)20-17(21)18(23-12-4-2)9-5-6-10-18/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide?
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide has a molecular weight of 339.86 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100712883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).