(E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide

C16H20Cl3NO — CID 13101254

IUPAC(E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide
SMILESCC(Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1Cl)CC(C)C
InChIInChI=1S/C16H20Cl3NO/c1-11(2)9-20(16(21)7-4-12(3)17)10-13-5-6-14(18)8-15(13)19/h4-8,11-12H,9-10H2,1-3H3/b7-4+
InChIKeyKRDZMJDSBBVNGN-QPJJXVBHSA-N
MW348.70 g/mol
LogP5.16
Rot. Bonds6

About (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide

(E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide (PubChem CID 13101254) has the molecular formula C16H20Cl3NO and a molecular weight of 348.70 g/mol. Its IUPAC name is (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide
PubChem CID13101254
Molecular FormulaC16H20Cl3NO
Molecular Weight348.70 g/mol
Exact Mass347.06
IUPAC Name(E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide
SMILESCC(Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1Cl)CC(C)C
InChIInChI=1S/C16H20Cl3NO/c1-11(2)9-20(16(21)7-4-12(3)17)10-13-5-6-14(18)8-15(13)19/h4-8,11-12H,9-10H2,1-3H3/b7-4+
InChIKeyKRDZMJDSBBVNGN-QPJJXVBHSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.70
LogP ≤ 55.16
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'}

Analyze (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-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

Related Compounds

1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392334
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
1-(2-Chlorobenzyl)-4-Hexylpyridin-2(1h)-One
CID 54765333
N,N-dibutyl-2,4-dichlorobenzamide
CID 221462
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
(2,4-Dichlorophenyl)(3,5-dimethylpiperidin-1-yl)methanone
CID 2842878
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-pentylacetamide
CID 145978924
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-N-pentylacetamide
CID 145979035
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-N-propylacetamide
CID 145983669

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
The IUPAC name of (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide (CID 13101254) is (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide.
What is the SMILES notation for (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
The canonical SMILES for (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide is CC(Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1Cl)CC(C)C.
What is the InChIKey of (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
The InChIKey is KRDZMJDSBBVNGN-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H20Cl3NO/c1-11(2)9-20(16(21)7-4-12(3)17)10-13-5-6-14(18)8-15(13)19/h4-8,11-12H,9-10H2,1-3H3/b7-4+.
What are the key properties of (E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
(E)-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide has a molecular weight of 348.70 g/mol, XLogP of 5.16, 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-[(2,4-dichlorophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide is sourced from PubChem (CID 13101254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).