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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Related Compounds

(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
(E)-3-(3,4-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861421
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300635
(E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6292148
(E)-3-(3-chloro-4-methylphenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)prop-2-enamide
CID 103712124
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
(E)-3-(3-chloro-4-methylphenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919248
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
N-cyclopropyl-4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 35556653
3-(3,4-dichlorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]prop-2-enamide
CID 77044382
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565

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).