2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide

C18H14Cl2N2O — CID 4532791

IUPAC2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H14Cl2N2O/c1-2-12-3-7-16(8-4-12)22-18(23)14(11-21)9-13-5-6-15(19)10-17(13)20/h3-10H,2H2,1H3,(H,22,23)
InChIKeyCZQJGAIBJWPUCN-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.10
Rot. Bonds4

About 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide

2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide (PubChem CID 4532791) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
PubChem CID4532791
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H14Cl2N2O/c1-2-12-3-7-16(8-4-12)22-18(23)14(11-21)9-13-5-6-15(19)10-17(13)20/h3-10H,2H2,1H3,(H,22,23)
InChIKeyCZQJGAIBJWPUCN-UHFFFAOYSA-N
XLogP5.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 18283096
(Z)-2-cyano-3-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 22299402
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 112979270
(E)-N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enamide
CID 1494373
(E)-N-(4-chlorophenyl)-2-cyano-3-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 126049105
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
N-(4-butylphenyl)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 4304434
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
(Z)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 7333310
(E)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 126063081
2-cyano-3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 41270329
(E)-2-cyano-3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 21234552

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide (CID 4532791) is 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide is CCc1ccc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
The InChIKey is CZQJGAIBJWPUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c1-2-12-3-7-16(8-4-12)22-18(23)14(11-21)9-13-5-6-15(19)10-17(13)20/h3-10H,2H2,1H3,(H,22,23).
What are the key properties of 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide?
2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide has a molecular weight of 345.23 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 4532791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).