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

C15H19Cl2NO — CID 13101245

IUPAC(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C15H19Cl2NO/c1-3-10-18(15(19)9-4-12(2)16)11-13-5-7-14(17)8-6-13/h4-9,12H,3,10-11H2,1-2H3/b9-4+
InChIKeyJQAUEGBGUFKVOY-RUDMXATFSA-N
MW300.23 g/mol
LogP4.26
Rot. Bonds6

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

(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide (PubChem CID 13101245) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide
PubChem CID13101245
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C15H19Cl2NO/c1-3-10-18(15(19)9-4-12(2)16)11-13-5-7-14(17)8-6-13/h4-9,12H,3,10-11H2,1-2H3/b9-4+
InChIKeyJQAUEGBGUFKVOY-RUDMXATFSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.26
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-propylpent-2-enamide?
The IUPAC name of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide (CID 13101245) is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide.
What is the SMILES notation for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide?
The canonical SMILES for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide is CCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl.
What is the InChIKey of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide?
The InChIKey is JQAUEGBGUFKVOY-RUDMXATFSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-3-10-18(15(19)9-4-12(2)16)11-13-5-7-14(17)8-6-13/h4-9,12H,3,10-11H2,1-2H3/b9-4+.
What are the key properties of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide?
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-propylpent-2-enamide has a molecular weight of 300.23 g/mol, XLogP of 4.26, 6 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-propylpent-2-enamide is sourced from PubChem (CID 13101245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).