(Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide

C17H20ClN3O — CID 108860346

IUPAC(Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H20ClN3O/c1-21(16-8-3-2-4-9-16)12-13(11-19)17(22)20-15-7-5-6-14(18)10-15/h5-7,10,12,16H,2-4,8-9H2,1H3,(H,20,22)/b13-12-
InChIKeyHMIZZUFELDVTIQ-SEYXRHQNSA-N
MW317.82 g/mol
LogP3.95
Rot. Bonds4

About (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide

(Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide (PubChem CID 108860346) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
PubChem CID108860346
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H20ClN3O/c1-21(16-8-3-2-4-9-16)12-13(11-19)17(22)20-15-7-5-6-14(18)10-15/h5-7,10,12,16H,2-4,8-9H2,1H3,(H,20,22)/b13-12-
InChIKeyHMIZZUFELDVTIQ-SEYXRHQNSA-N
XLogP3.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide 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-chlorophenyl)-2-cyano-3-(dimethylamino)prop-2-enamide
CID 3759138
(Z)-3-[butyl(methyl)amino]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860505
(Z)-N-(4-butylphenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide
CID 108828019
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 7463196
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 98394768
N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 3278531
(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820584
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-dimethylanilino)prop-2-enamide
CID 46920697
(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 21206054
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-3-[benzyl(2-hydroxyethyl)amino]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860461

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide?
The IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide (CID 108860346) is (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide is CN(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide?
The InChIKey is HMIZZUFELDVTIQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-21(16-8-3-2-4-9-16)12-13(11-19)17(22)20-15-7-5-6-14(18)10-15/h5-7,10,12,16H,2-4,8-9H2,1H3,(H,20,22)/b13-12-.
What are the key properties of (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide?
(Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide has a molecular weight of 317.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chlorophenyl)-2-cyano-3-[cyclohexyl(methyl)amino]prop-2-enamide is sourced from PubChem (CID 108860346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).