(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C18H14Cl2N2O2 — CID 7481190

IUPAC(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-14-8-6-12(7-9-14)10-13(11-21)18(23)22-17-15(19)4-3-5-16(17)20/h3-10H,2H2,1H3,(H,22,23)/b13-10+
InChIKeyRLJYZPHLQCDCJB-JLHYYAGUSA-N
MW361.23 g/mol
LogP4.94
Rot. Bonds5

About (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 7481190) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID7481190
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-14-8-6-12(7-9-14)10-13(11-21)18(23)22-17-15(19)4-3-5-16(17)20/h3-10H,2H2,1H3,(H,22,23)/b13-10+
InChIKeyRLJYZPHLQCDCJB-JLHYYAGUSA-N
XLogP4.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.94
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

N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 19174988
(E)-3-(4-acetamidophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 7912146
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 2713841
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 3828675
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 26476001
4-[(E)-2-cyano-3-(2,6-dichloroanilino)-3-oxoprop-1-enyl]benzoic acid
CID 7912157
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(Z)-3-(3-chlorophenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 124647545
(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 19175266
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 48836654

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 7481190) is (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is RLJYZPHLQCDCJB-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-24-14-8-6-12(7-9-14)10-13(11-21)18(23)22-17-15(19)4-3-5-16(17)20/h3-10H,2H2,1H3,(H,22,23)/b13-10+.
What are the key properties of (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 361.23 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7481190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).