(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide

C18H16ClN3O — CID 108824386

IUPAC(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-2-22(15-8-4-3-5-9-15)13-14(12-20)18(23)21-17-11-7-6-10-16(17)19/h3-11,13H,2H2,1H3,(H,21,23)/b14-13-
InChIKeyIVDYVZOXPJNOAV-YPKPFQOOSA-N
MW325.80 g/mol
LogP4.21
Rot. Bonds5

About (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide

(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide (PubChem CID 108824386) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide
PubChem CID108824386
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-2-22(15-8-4-3-5-9-15)13-14(12-20)18(23)21-17-11-7-6-10-16(17)19/h3-11,13H,2H2,1H3,(H,21,23)/b14-13-
InChIKeyIVDYVZOXPJNOAV-YPKPFQOOSA-N
XLogP4.21
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.21
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

(Z)-3-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824422
(Z)-N-butyl-2-cyano-3-(N-ethylanilino)prop-2-enamide
CID 108833684
(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835165
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825168
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
(Z)-3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824426
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,2-dimethoxyethylamino)prop-2-enamide
CID 108824490
(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824842
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108824542
(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
CID 108859545
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-hydroxyethylamino)prop-2-enamide
CID 108824466
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide (CID 108824386) is (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide is CCN(/C=C(/C#N)C(=O)Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide?
The InChIKey is IVDYVZOXPJNOAV-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-2-22(15-8-4-3-5-9-15)13-14(12-20)18(23)21-17-11-7-6-10-16(17)19/h3-11,13H,2H2,1H3,(H,21,23)/b14-13-.
What are the key properties of (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide?
(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide has a molecular weight of 325.80 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide is sourced from PubChem (CID 108824386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).