(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide

C16H17Cl2N3O — CID 108831358

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C16H17Cl2N3O/c17-12-6-7-15(14(18)8-12)20-10-11(9-19)16(22)21-13-4-2-1-3-5-13/h6-8,10,13,20H,1-5H2,(H,21,22)/b11-10-
InChIKeyOXQLXXWOZPYRGY-KHPPLWFESA-N
MW338.24 g/mol
LogP4.26
Rot. Bonds4

About (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide (PubChem CID 108831358) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide
PubChem CID108831358
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C16H17Cl2N3O/c17-12-6-7-15(14(18)8-12)20-10-11(9-19)16(22)21-13-4-2-1-3-5-13/h6-8,10,13,20H,1-5H2,(H,21,22)/b11-10-
InChIKeyOXQLXXWOZPYRGY-KHPPLWFESA-N
XLogP4.26
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.26
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)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862795
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835417
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-3-(2-chloro-4,6-dimethylanilino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831603
2-[[(Z)-2-cyano-3-(cyclododecylamino)-3-oxoprop-1-enyl]amino]benzamide
CID 108862742
(Z)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-cyano-N-cyclopentylprop-2-enamide
CID 108835512
(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
CID 108831610
(Z)-2-cyano-N-cyclohexyl-3-[2-(trifluoromethyl)anilino]prop-2-enamide
CID 108831343
(Z)-2-cyano-N-cyclododecyl-3-(2-methoxy-5-methylanilino)prop-2-enamide
CID 108862625
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862565
(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide
CID 108835427

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide (CID 108831358) is (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide?
The InChIKey is OXQLXXWOZPYRGY-KHPPLWFESA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-12-6-7-15(14(18)8-12)20-10-11(9-19)16(22)21-13-4-2-1-3-5-13/h6-8,10,13,20H,1-5H2,(H,21,22)/b11-10-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide has a molecular weight of 338.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide is sourced from PubChem (CID 108831358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).