2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide

C13H15Cl2NO2 — CID 19366727

IUPAC2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide
SMILESC=CCC(C(=O)N(C)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-4-5-10(13(17)16(2)18-3)9-6-7-11(14)12(15)8-9/h4,6-8,10H,1,5H2,2-3H3
InChIKeyURITWNOPNZQDTF-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.67
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide

2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide (PubChem CID 19366727) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide
PubChem CID19366727
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide
SMILESC=CCC(C(=O)N(C)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-4-5-10(13(17)16(2)18-3)9-6-7-11(14)12(15)8-9/h4,6-8,10H,1,5H2,2-3H3
InChIKeyURITWNOPNZQDTF-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide (CID 19366727) is 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide is C=CCC(C(=O)N(C)OC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide?
The InChIKey is URITWNOPNZQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-4-5-10(13(17)16(2)18-3)9-6-7-11(14)12(15)8-9/h4,6-8,10H,1,5H2,2-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide?
2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide has a molecular weight of 288.17 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide is sourced from PubChem (CID 19366727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).