(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide

C14H14Cl2N2O — CID 134118071

IUPAC(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide
SMILESCCN(CCC#N)C(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-2-18(9-3-8-17)14(19)7-5-11-4-6-12(15)13(16)10-11/h4-7,10H,2-3,9H2,1H3/b7-5+
InChIKeyKIESDAIFLYCKNA-FNORWQNLSA-N
MW297.19 g/mol
LogP3.77
Rot. Bonds5

About (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide

(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide (PubChem CID 134118071) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide
PubChem CID134118071
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide
SMILESCCN(CCC#N)C(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-2-18(9-3-8-17)14(19)7-5-11-4-6-12(15)13(16)10-11/h4-7,10H,2-3,9H2,1H3/b7-5+
InChIKeyKIESDAIFLYCKNA-FNORWQNLSA-N
XLogP3.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61008261
3-(4-chloro-3-nitrophenyl)-N-(cyanomethyl)-N-ethylprop-2-enamide
CID 103598941
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 7997100
(Z)-N,N-bis(2-cyanoethyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 97435242
3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 895970
N,N-bis(2-cyanoethyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103598565
(E)-N,N-bis(2-cyanoethyl)-3-(3-fluorophenyl)prop-2-enamide
CID 47148587
methyl 3-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-ethylamino]propanoate
CID 61009217
ethyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76929626
2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901316
N-(2-cyanoethyl)-3-(3,4-diethoxyphenyl)-N-methylprop-2-enamide
CID 78805506

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide (CID 134118071) is (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide is CCN(CCC#N)C(=O)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide?
The InChIKey is KIESDAIFLYCKNA-FNORWQNLSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-18(9-3-8-17)14(19)7-5-11-4-6-12(15)13(16)10-11/h4-7,10H,2-3,9H2,1H3/b7-5+.
What are the key properties of (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide?
(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide has a molecular weight of 297.19 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 134118071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).