2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide

C14H20ClNO2 — CID 107202681

IUPAC2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-16(9-5-2-6-10-17)14(18)11-12-7-3-4-8-13(12)15/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyBRJNRCMKPTXFIT-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.50
Rot. Bonds7

About 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide

2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide (PubChem CID 107202681) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
PubChem CID107202681
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-16(9-5-2-6-10-17)14(18)11-12-7-3-4-8-13(12)15/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyBRJNRCMKPTXFIT-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.50
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-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
2-(2-chlorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716038
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
CID 112793922
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 107202415
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5-hydroxypentyl)-N-methylacetamide
CID 107201763
2-chloro-N-(5-hydroxypentyl)-N-methyl-6-nitrobenzamide
CID 107202351
2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202418
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N-(2-aminophenyl)-2-(2-chlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 43547854

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide (CID 107202681) is 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide is CN(CCCCCO)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
The InChIKey is BRJNRCMKPTXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(9-5-2-6-10-17)14(18)11-12-7-3-4-8-13(12)15/h3-4,7-8,17H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide?
2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide has a molecular weight of 269.77 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide is sourced from PubChem (CID 107202681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).