(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide

C17H15Cl2NO — CID 6115822

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO/c1-2-12-4-3-5-15(10-12)20-17(21)9-7-13-6-8-14(18)11-16(13)19/h3-11H,2H2,1H3,(H,20,21)/b9-7+
InChIKeyKNINIZMGTMZRFR-VQHVLOKHSA-N
MW320.22 g/mol
LogP5.21
Rot. Bonds4

About (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (PubChem CID 6115822) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
PubChem CID6115822
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO/c1-2-12-4-3-5-15(10-12)20-17(21)9-7-13-6-8-14(18)11-16(13)19/h3-11H,2H2,1H3,(H,20,21)/b9-7+
InChIKeyKNINIZMGTMZRFR-VQHVLOKHSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4238227
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (CID 6115822) is (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is CCc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The InChIKey is KNINIZMGTMZRFR-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-12-4-3-5-15(10-12)20-17(21)9-7-13-6-8-14(18)11-16(13)19/h3-11H,2H2,1H3,(H,20,21)/b9-7+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide has a molecular weight of 320.22 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 6115822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).