(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide

C13H15Cl2NO — CID 13101243

IUPAC(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide
SMILESCC(Cl)/C=C/C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl2NO/c1-10(14)3-8-13(17)16(2)9-11-4-6-12(15)7-5-11/h3-8,10H,9H2,1-2H3/b8-3+
InChIKeyDFOIYGKSFYAGQI-FPYGCLRLSA-N
MW272.18 g/mol
LogP3.48
Rot. Bonds4

About (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide

(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide (PubChem CID 13101243) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide
PubChem CID13101243
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide
SMILESCC(Cl)/C=C/C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl2NO/c1-10(14)3-8-13(17)16(2)9-11-4-6-12(15)7-5-11/h3-8,10H,9H2,1-2H3/b8-3+
InChIKeyDFOIYGKSFYAGQI-FPYGCLRLSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide?
The IUPAC name of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide (CID 13101243) is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide.
What is the SMILES notation for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide?
The canonical SMILES for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide is CC(Cl)/C=C/C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide?
The InChIKey is DFOIYGKSFYAGQI-FPYGCLRLSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-10(14)3-8-13(17)16(2)9-11-4-6-12(15)7-5-11/h3-8,10H,9H2,1-2H3/b8-3+.
What are the key properties of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide?
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide has a molecular weight of 272.18 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylpent-2-enamide is sourced from PubChem (CID 13101243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).