2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide

C18H14Cl2N2O — CID 78650220

IUPAC2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(Cl)c1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H14Cl2N2O/c19-16-8-4-7-14(17(16)20)11-15(12-21)18(23)22-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2,(H,22,23)
InChIKeySHCQFECSTSIPRQ-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.26
Rot. Bonds5

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

2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 78650220) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID78650220
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(Cl)c1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H14Cl2N2O/c19-16-8-4-7-14(17(16)20)11-15(12-21)18(23)22-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2,(H,22,23)
InChIKeySHCQFECSTSIPRQ-UHFFFAOYSA-N
XLogP4.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.26
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

(Z)-2-cyano-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183864
(E)-2-cyano-3-[2-(cyanomethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 30228009
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
(Z)-2-cyano-3-(2,3-dichlorophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 132761154
(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 773363
(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 4874915
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 108835137
(Z)-2-cyano-3-(2-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126244030
(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 19183908
(Z)-2-cyano-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-phenylethyl)prop-2-enamide
CID 19183896
methyl 4-[2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]benzoate
CID 2892674

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide (CID 78650220) is 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide is N#CC(=Cc1cccc(Cl)c1Cl)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is SHCQFECSTSIPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c19-16-8-4-7-14(17(16)20)11-15(12-21)18(23)22-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2,(H,22,23).
What are the key properties of 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 345.23 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 78650220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).