N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide

C18H15ClN2O2 — CID 3839251

IUPACN-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-17-9-3-13(4-10-17)11-14(12-20)18(22)21-16-7-5-15(19)6-8-16/h3-11H,2H2,1H3,(H,21,22)
InChIKeyODTYFFMERCGZIH-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.28
Rot. Bonds5

About N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide

N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 3839251) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID3839251
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-17-9-3-13(4-10-17)11-14(12-20)18(22)21-16-7-5-15(19)6-8-16/h3-11H,2H2,1H3,(H,21,22)
InChIKeyODTYFFMERCGZIH-UHFFFAOYSA-N
XLogP4.28
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.28
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

(E)-2-cyano-N-(3,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 19174988
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 5025351
2-[4-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 2875550
4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]benzoic acid
CID 727285
(Z)-3-(3-chlorophenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 124647545
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 48836654
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 45041756
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 124651936
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 6026563
(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 7481190
(E)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 40654992
4-[[4-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
CID 2875657

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide (CID 3839251) is N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is ODTYFFMERCGZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-23-17-9-3-13(4-10-17)11-14(12-20)18(22)21-16-7-5-15(19)6-8-16/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide?
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 326.78 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3839251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).