N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide

C22H23ClN2O — CID 166327412

IUPACN-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide
SMILESCCC1CCCC1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C22H23ClN2O/c1-2-17-9-6-10-20(17)22(26)25(15-16-7-4-3-5-8-16)21-13-19(23)12-11-18(21)14-24/h3-5,7-8,11-13,17,20H,2,6,9-10,15H2,1H3
InChIKeyHGZIEMXQMLNXOY-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.57
Rot. Bonds5

About N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide

N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide (PubChem CID 166327412) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide
PubChem CID166327412
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC NameN-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide
SMILESCCC1CCCC1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C22H23ClN2O/c1-2-17-9-6-10-20(17)22(26)25(15-16-7-4-3-5-8-16)21-13-19(23)12-11-18(21)14-24/h3-5,7-8,11-13,17,20H,2,6,9-10,15H2,1H3
InChIKeyHGZIEMXQMLNXOY-UHFFFAOYSA-N
XLogP5.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-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-benzyl-N-(5-chloro-2-cyanophenyl)-4-(methylsulfonylmethyl)benzamide
CID 86895858
2-[benzyl(methyl)amino]-4-chlorobenzonitrile
CID 55180617
N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 86890740
3-(5-chloro-2-cyano-N-ethylanilino)propanoic acid
CID 55181834
4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
CID 63093750
2-(5-chloro-2-cyano-N-ethylanilino)-2-methylpropanoic acid
CID 63083105
(2R,3S)-N-[(3-cyanophenyl)methyl]-2-ethyl-N-methyloxane-3-carboxamide
CID 129492759
N-benzyl-N-(5-chloro-2-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86890718
3-(5-chloro-2-cyano-N-ethylanilino)-2-methylpropanoic acid
CID 63083281
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
CID 55181966
2-[(3-aminophenyl)methyl-ethylamino]-4-chlorobenzonitrile
CID 63083830
2-(5-chloro-2-cyano-N-(1,1-dioxothiolan-3-yl)anilino)acetic acid
CID 63082931

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide (CID 166327412) is N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide is CCC1CCCC1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N.
What is the InChIKey of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide?
The InChIKey is HGZIEMXQMLNXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-2-17-9-6-10-20(17)22(26)25(15-16-7-4-3-5-8-16)21-13-19(23)12-11-18(21)14-24/h3-5,7-8,11-13,17,20H,2,6,9-10,15H2,1H3.
What are the key properties of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide?
N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-chloro-2-cyanophenyl)-2-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 166327412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).