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

C14H17Cl2NO — CID 13101244

IUPAC(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide
SMILESCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C14H17Cl2NO/c1-3-17(14(18)9-4-11(2)15)10-12-5-7-13(16)8-6-12/h4-9,11H,3,10H2,1-2H3/b9-4+
InChIKeyUTULFVWZKHMIER-RUDMXATFSA-N
MW286.20 g/mol
LogP3.87
Rot. Bonds5

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

(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide (PubChem CID 13101244) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide
PubChem CID13101244
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide
SMILESCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C14H17Cl2NO/c1-3-17(14(18)9-4-11(2)15)10-12-5-7-13(16)8-6-12/h4-9,11H,3,10H2,1-2H3/b9-4+
InChIKeyUTULFVWZKHMIER-RUDMXATFSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.87
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-ethylpent-2-enamide?
The IUPAC name of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide (CID 13101244) is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide.
What is the SMILES notation for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide?
The canonical SMILES for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide is CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl.
What is the InChIKey of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide?
The InChIKey is UTULFVWZKHMIER-RUDMXATFSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-3-17(14(18)9-4-11(2)15)10-12-5-7-13(16)8-6-12/h4-9,11H,3,10H2,1-2H3/b9-4+.
What are the key properties of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide?
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-ethylpent-2-enamide has a molecular weight of 286.20 g/mol, XLogP of 3.87, 5 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-ethylpent-2-enamide is sourced from PubChem (CID 13101244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).