(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide

C14H13Cl2NO — CID 177358769

IUPAC(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide
SMILESC=C/C(Cl)=C(\C(=C)Cl)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H13Cl2NO/c1-4-12(16)13(10(3)15)14(18)17-11-7-5-6-9(2)8-11/h4-8H,1,3H2,2H3,(H,17,18)/b13-12-
InChIKeyHQVMOPZSVNGSOB-SEYXRHQNSA-N
MW282.17 g/mol
LogP4.36
Rot. Bonds4

About (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide

(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide (PubChem CID 177358769) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide
PubChem CID177358769
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide
SMILESC=C/C(Cl)=C(\C(=C)Cl)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H13Cl2NO/c1-4-12(16)13(10(3)15)14(18)17-11-7-5-6-9(2)8-11/h4-8H,1,3H2,2H3,(H,17,18)/b13-12-
InChIKeyHQVMOPZSVNGSOB-SEYXRHQNSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide
CID 143322990
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide
CID 177358783
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
N-(3-methylphenyl)acetamide
CID 10843
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039

Frequently Asked Questions

What is the IUPAC name of (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide?
The IUPAC name of (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide (CID 177358769) is (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide is C=C/C(Cl)=C(\C(=C)Cl)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide?
The InChIKey is HQVMOPZSVNGSOB-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-4-12(16)13(10(3)15)14(18)17-11-7-5-6-9(2)8-11/h4-8H,1,3H2,2H3,(H,17,18)/b13-12-.
What are the key properties of (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide?
(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide has a molecular weight of 282.17 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide is sourced from PubChem (CID 177358769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).