(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide

C18H23Cl2N3O — CID 108825179

IUPAC(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl)CCCC
InChIInChI=1S/C18H23Cl2N3O/c1-3-5-10-23(11-6-4-2)13-14(12-21)18(24)22-16-9-7-8-15(19)17(16)20/h7-9,13H,3-6,10-11H2,1-2H3,(H,22,24)/b14-13-
InChIKeyBMIMVYAFSYEUSX-YPKPFQOOSA-N
MW368.31 g/mol
LogP5.24
Rot. Bonds9

About (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide

(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide (PubChem CID 108825179) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
PubChem CID108825179
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl)CCCC
InChIInChI=1S/C18H23Cl2N3O/c1-3-5-10-23(11-6-4-2)13-14(12-21)18(24)22-16-9-7-8-15(19)17(16)20/h7-9,13H,3-6,10-11H2,1-2H3,(H,22,24)/b14-13-
InChIKeyBMIMVYAFSYEUSX-YPKPFQOOSA-N
XLogP5.24
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.31
LogP ≤ 55.24
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)-3-[benzyl(ethyl)amino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825168
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108825180
(Z)-3-[butyl(propyl)amino]-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108835925
(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850816
(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821492
(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)-3-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824422
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(dibutylamino)prop-2-enamide
CID 108852298
(Z)-3-(3-chloropropylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825100
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825051
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828936

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide (CID 108825179) is (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide is CCCCN(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl)CCCC.
What is the InChIKey of (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide?
The InChIKey is BMIMVYAFSYEUSX-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-3-5-10-23(11-6-4-2)13-14(12-21)18(24)22-16-9-7-8-15(19)17(16)20/h7-9,13H,3-6,10-11H2,1-2H3,(H,22,24)/b14-13-.
What are the key properties of (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide?
(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide has a molecular weight of 368.31 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108825179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).