3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide

C13H15Cl2NO3 — CID 57063992

IUPAC3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide
SMILESCON(C)C(=O)CC(CC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-16(19-2)13(18)8-10(5-6-17)9-3-4-11(14)12(15)7-9/h3-4,6-7,10H,5,8H2,1-2H3
InChIKeyUYZAAVVHMQGSTH-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.08
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide

3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide (PubChem CID 57063992) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide
PubChem CID57063992
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide
SMILESCON(C)C(=O)CC(CC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-16(19-2)13(18)8-10(5-6-17)9-3-4-11(14)12(15)7-9/h3-4,6-7,10H,5,8H2,1-2H3
InChIKeyUYZAAVVHMQGSTH-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide
CID 57022891
tert-butyl N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylcarbamate
CID 22452656
3-(3,4-dichlorophenyl)-N-methoxy-N-methylpropanamide
CID 86728179
3,5-dichloro-N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylbenzamide
CID 54492746
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N,3-dimethylbenzamide
CID 54275892
(2R)-2-(3,4-dichlorophenyl)-N-methoxy-N-methylpent-4-enamide;(2R)-2-(3,4-dichlorophenyl)pent-4-enoic acid
CID 159060521
N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
CID 22137550
3-(3,4-dichlorophenyl)-5-hydroxy-N-(4-methoxyphenyl)-N-methylpentanamide
CID 19029316
4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide
CID 82139155
3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 19029342
3-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164893310

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide (CID 57063992) is 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide is CON(C)C(=O)CC(CC=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide?
The InChIKey is UYZAAVVHMQGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-16(19-2)13(18)8-10(5-6-17)9-3-4-11(14)12(15)7-9/h3-4,6-7,10H,5,8H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide?
3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide has a molecular weight of 304.17 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide is sourced from PubChem (CID 57063992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).