2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide

C14H19Cl2NO2 — CID 107202302

IUPAC2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-17(7-3-2-4-8-18)14(19)10-11-5-6-12(15)13(16)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyXIKOBSDNQMBWPY-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.16
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide

2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide (PubChem CID 107202302) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
PubChem CID107202302
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-17(7-3-2-4-8-18)14(19)10-11-5-6-12(15)13(16)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyXIKOBSDNQMBWPY-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.16
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

2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202681
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 107202415
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 70421787
2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202418
N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide
CID 107206768
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 102684283
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5-hydroxypentyl)-N-methylacetamide
CID 107201763
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide
CID 22076302

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide (CID 107202302) is 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide is CN(CCCCCO)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The InChIKey is XIKOBSDNQMBWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-17(7-3-2-4-8-18)14(19)10-11-5-6-12(15)13(16)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide has a molecular weight of 304.22 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide is sourced from PubChem (CID 107202302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).