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

C15H17Cl2NO — CID 13101249

IUPAC(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide
SMILESC=CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C15H17Cl2NO/c1-3-10-18(15(19)9-4-12(2)16)11-13-5-7-14(17)8-6-13/h3-9,12H,1,10-11H2,2H3/b9-4+
InChIKeyCLSMTCBMTXFTGF-RUDMXATFSA-N
MW298.21 g/mol
LogP4.04
Rot. Bonds6

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

(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide (PubChem CID 13101249) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide
PubChem CID13101249
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide
SMILESC=CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C15H17Cl2NO/c1-3-10-18(15(19)9-4-12(2)16)11-13-5-7-14(17)8-6-13/h3-9,12H,1,10-11H2,2H3/b9-4+
InChIKeyCLSMTCBMTXFTGF-RUDMXATFSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide?
The IUPAC name of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide (CID 13101249) is (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide.
What is the SMILES notation for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide?
The canonical SMILES for (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide is C=CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/C(C)Cl.
What is the InChIKey of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide?
The InChIKey is CLSMTCBMTXFTGF-RUDMXATFSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-3-10-18(15(19)9-4-12(2)16)11-13-5-7-14(17)8-6-13/h3-9,12H,1,10-11H2,2H3/b9-4+.
What are the key properties of (E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide?
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-prop-2-enylpent-2-enamide has a molecular weight of 298.21 g/mol, XLogP of 4.04, 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-prop-2-enylpent-2-enamide is sourced from PubChem (CID 13101249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).