(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide

C16H18ClN3O — CID 108824294

IUPAC(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide
SMILESN#C/C(=C/NC1CCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c17-14-8-4-5-9-15(14)20-16(21)12(10-18)11-19-13-6-2-1-3-7-13/h4-5,8-9,11,13,19H,1-3,6-7H2,(H,20,21)/b12-11-
InChIKeyZIGISENZKDGBCI-QXMHVHEDSA-N
MW303.79 g/mol
LogP3.61
Rot. Bonds4

About (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide

(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide (PubChem CID 108824294) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide
PubChem CID108824294
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide
SMILESN#C/C(=C/NC1CCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c17-14-8-4-5-9-15(14)20-16(21)12(10-18)11-19-13-6-2-1-3-7-13/h4-5,8-9,11,13,19H,1-3,6-7H2,(H,20,21)/b12-11-
InChIKeyZIGISENZKDGBCI-QXMHVHEDSA-N
XLogP3.61
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.61
H-Bond Donors ≤ 52
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'}

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Related Compounds

(Z)-2-cyano-3-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108823015
(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(cyclododecylamino)prop-2-enamide
CID 108853734
methyl 2-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]benzoate
CID 108851634
(Z)-2-cyano-3-(cyclopentylamino)-N-(2-nitrophenyl)prop-2-enamide
CID 108816475
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(cyclododecylamino)prop-2-enamide
CID 108827733
(Z)-2-cyano-3-(cyclopropylamino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821163
(Z)-2-cyano-3-(cyclohexylamino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816837
(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849268
(Z)-2-cyano-3-(cyclohexylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849184
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-hydroxyethylamino)prop-2-enamide
CID 108824466
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide (CID 108824294) is (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide is N#C/C(=C/NC1CCCCC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide?
The InChIKey is ZIGISENZKDGBCI-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-8-4-5-9-15(14)20-16(21)12(10-18)11-19-13-6-2-1-3-7-13/h4-5,8-9,11,13,19H,1-3,6-7H2,(H,20,21)/b12-11-.
What are the key properties of (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide?
(Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide has a molecular weight of 303.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-chlorophenyl)-2-cyano-3-(cyclohexylamino)prop-2-enamide is sourced from PubChem (CID 108824294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).