(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide

C17H22Cl2N4O — CID 108825180

IUPAC(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H22Cl2N4O/c1-3-23(4-2)10-6-9-21-12-13(11-20)17(24)22-15-8-5-7-14(18)16(15)19/h5,7-8,12,21H,3-4,6,9-10H2,1-2H3,(H,22,24)/b13-12-
InChIKeyYXEYLUSWVQNLKB-SEYXRHQNSA-N
MW369.30 g/mol
LogP3.66
Rot. Bonds9

About (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide

(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide (PubChem CID 108825180) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide
PubChem CID108825180
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H22Cl2N4O/c1-3-23(4-2)10-6-9-21-12-13(11-20)17(24)22-15-8-5-7-14(18)16(15)19/h5,7-8,12,21H,3-4,6,9-10H2,1-2H3,(H,22,24)/b13-12-
InChIKeyYXEYLUSWVQNLKB-SEYXRHQNSA-N
XLogP3.66
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-chloropropylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825100
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108822198
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825051
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857894
(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108825926
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(5-hydroxypentylamino)prop-2-enamide
CID 108823700
(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825179
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-hydroxyethylamino)prop-2-enamide
CID 108824466
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide
CID 108825341
(Z)-2-cyano-3-[2-(diethylamino)ethylamino]-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849305
(Z)-3-(2-acetamidoethylamino)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824512
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
CID 108840055

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide (CID 108825180) is (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide is CCN(CC)CCCN/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide?
The InChIKey is YXEYLUSWVQNLKB-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-3-23(4-2)10-6-9-21-12-13(11-20)17(24)22-15-8-5-7-14(18)16(15)19/h5,7-8,12,21H,3-4,6,9-10H2,1-2H3,(H,22,24)/b13-12-.
What are the key properties of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide?
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide has a molecular weight of 369.30 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide is sourced from PubChem (CID 108825180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).