3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide

C13H17Cl2NO2 — CID 94001130

IUPAC3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-18-8-2-7-16-13(17)6-4-10-3-5-11(14)9-12(10)15/h3,5,9H,2,4,6-8H2,1H3,(H,16,17)
InChIKeyMEUDNXLHHHHLKX-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.08
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide

3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide (PubChem CID 94001130) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
PubChem CID94001130
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-18-8-2-7-16-13(17)6-4-10-3-5-11(14)9-12(10)15/h3,5,9H,2,4,6-8H2,1H3,(H,16,17)
InChIKeyMEUDNXLHHHHLKX-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111720464
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide (CID 94001130) is 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is MEUDNXLHHHHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-18-8-2-7-16-13(17)6-4-10-3-5-11(14)9-12(10)15/h3,5,9H,2,4,6-8H2,1H3,(H,16,17).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide?
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 290.19 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 94001130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).