N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide

C16H19Cl2N3O — CID 4806223

IUPACN-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC1(C#N)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-11(13-5-4-12(17)8-14(13)18)20-9-15(22)21-16(10-19)6-2-3-7-16/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyJCXSJKYCUNUKDB-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.60
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide

N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide (PubChem CID 4806223) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
PubChem CID4806223
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC NameN-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC1(C#N)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-11(13-5-4-12(17)8-14(13)18)20-9-15(22)21-16(10-19)6-2-3-7-16/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyJCXSJKYCUNUKDB-UHFFFAOYSA-N
XLogP3.60
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide 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-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide
CID 75442811
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253982
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9254112
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4828683
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
N-[2-(cyanomethylsulfanyl)phenyl]-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253770
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide (CID 4806223) is N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide is CC(NCC(=O)NC1(C#N)CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
The InChIKey is JCXSJKYCUNUKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-11(13-5-4-12(17)8-14(13)18)20-9-15(22)21-16(10-19)6-2-3-7-16/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,21,22).
What are the key properties of N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide has a molecular weight of 340.25 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide is sourced from PubChem (CID 4806223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).