(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide

C16H20ClN3O — CID 108860870

IUPAC(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1)CCC
InChIInChI=1S/C16H20ClN3O/c1-3-9-20(10-4-2)12-13(11-18)16(21)19-15-7-5-14(17)6-8-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,19,21)/b13-12-
InChIKeyGGPOWJZJGPSHKZ-SEYXRHQNSA-N
MW305.81 g/mol
LogP3.81
Rot. Bonds7

About (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide

(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide (PubChem CID 108860870) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
PubChem CID108860870
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1)CCC
InChIInChI=1S/C16H20ClN3O/c1-3-9-20(10-4-2)12-13(11-18)16(21)19-15-7-5-14(17)6-8-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,19,21)/b13-12-
InChIKeyGGPOWJZJGPSHKZ-SEYXRHQNSA-N
XLogP3.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.81
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'}

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Related Compounds

(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(dipropylamino)prop-2-enamide
CID 108825593
4-[[(Z)-2-cyano-3-(dibutylamino)prop-2-enoyl]amino]benzoic acid
CID 108823316
(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
CID 108860844
(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821492
(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826338
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(dibutylamino)prop-2-enamide
CID 108852298
(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1270006
(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850857
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827455
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide (CID 108860870) is (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide is CCCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1)CCC.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
The InChIKey is GGPOWJZJGPSHKZ-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-9-20(10-4-2)12-13(11-18)16(21)19-15-7-5-14(17)6-8-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,19,21)/b13-12-.
What are the key properties of (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide has a molecular weight of 305.81 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide is sourced from PubChem (CID 108860870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).