3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide

C13H15Cl2NO2 — CID 4676391

IUPAC3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-18-8-2-7-16-13(17)6-4-10-3-5-11(14)12(15)9-10/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyWOCCGNKQWKNOBK-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.16
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide

3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 4676391) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
PubChem CID4676391
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-18-8-2-7-16-13(17)6-4-10-3-5-11(14)12(15)9-10/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyWOCCGNKQWKNOBK-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide (CID 4676391) is 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide is COCCCNC(=O)C=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is WOCCGNKQWKNOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-8-2-7-16-13(17)6-4-10-3-5-11(14)12(15)9-10/h3-6,9H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 288.17 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 4676391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).