3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide

C13H15Cl2NO3 — CID 57022891

IUPAC3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide
SMILESCOCNC(=O)CC(CC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-19-8-16-13(18)7-10(4-5-17)9-2-3-11(14)12(15)6-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,16,18)
InChIKeyPIZFOBBFUVEFIH-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.78
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide

3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide (PubChem CID 57022891) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide
PubChem CID57022891
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide
SMILESCOCNC(=O)CC(CC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-19-8-16-13(18)7-10(4-5-17)9-2-3-11(14)12(15)6-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,16,18)
InChIKeyPIZFOBBFUVEFIH-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide
CID 57063992
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
3,5-dichloro-N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylbenzamide
CID 54492746
tert-butyl N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylcarbamate
CID 22452656
N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
CID 22137550
3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
CID 140979180
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N,3-dimethylbenzamide
CID 54275892
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
3-(3,4-dichlorophenyl)-5-oxo-5-(3-phenylpropylamino)pentanoic acid
CID 70195286
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide (CID 57022891) is 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide is COCNC(=O)CC(CC=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide?
The InChIKey is PIZFOBBFUVEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-19-8-16-13(18)7-10(4-5-17)9-2-3-11(14)12(15)6-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,16,18).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide?
3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide has a molecular weight of 304.17 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide is sourced from PubChem (CID 57022891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).