N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide

C14H17Cl2NO2 — CID 112818677

IUPACN-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-17(10-4-2-3-5-10)14(18)9-19-11-6-7-12(15)13(16)8-11/h6-8,10H,2-5,9H2,1H3
InChIKeyOGNOORWSYWZTGX-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.77
Rot. Bonds4

About N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide

N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide (PubChem CID 112818677) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
PubChem CID112818677
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-17(10-4-2-3-5-10)14(18)9-19-11-6-7-12(15)13(16)8-11/h6-8,10H,2-5,9H2,1H3
InChIKeyOGNOORWSYWZTGX-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-carbamothioyl-3-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 102724327
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid
CID 155254242
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide (CID 112818677) is N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide is CN(C(=O)COc1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide?
The InChIKey is OGNOORWSYWZTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-17(10-4-2-3-5-10)14(18)9-19-11-6-7-12(15)13(16)8-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide?
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide has a molecular weight of 302.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 112818677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).