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

C17H15Cl2NO — CID 844231

IUPAC(E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H15Cl2NO/c1-2-12-4-3-5-14(10-12)20-17(21)9-7-13-6-8-15(18)16(19)11-13/h3-11H,2H2,1H3,(H,20,21)/b9-7+
InChIKeyXZVBNTQIEUURJS-VQHVLOKHSA-N
MW320.22 g/mol
LogP5.21
Rot. Bonds4

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

(E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (PubChem CID 844231) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
PubChem CID844231
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H15Cl2NO/c1-2-12-4-3-5-14(10-12)20-17(21)9-7-13-6-8-15(18)16(19)11-13/h3-11H,2H2,1H3,(H,20,21)/b9-7+
InChIKeyXZVBNTQIEUURJS-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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (CID 844231) is (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is CCc1cccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The InChIKey is XZVBNTQIEUURJS-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-12-4-3-5-14(10-12)20-17(21)9-7-13-6-8-15(18)16(19)11-13/h3-11H,2H2,1H3,(H,20,21)/b9-7+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
(E)-3-(3,4-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-(3,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 844231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).