2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide

C16H20Cl2N2O2 — CID 7780171

IUPAC2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CC1CCCC1
InChIInChI=1S/C16H20Cl2N2O2/c1-20(15(22)9-11-5-2-3-6-11)10-14(21)19-16-12(17)7-4-8-13(16)18/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,19,21)
InChIKeyKDTKCTQMPBIQCT-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.97
Rot. Bonds5

About 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide

2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 7780171) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID7780171
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CC1CCCC1
InChIInChI=1S/C16H20Cl2N2O2/c1-20(15(22)9-11-5-2-3-6-11)10-14(21)19-16-12(17)7-4-8-13(16)18/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,19,21)
InChIKeyKDTKCTQMPBIQCT-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 11919743
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 18557275
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9089490
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide (CID 7780171) is 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is KDTKCTQMPBIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-20(15(22)9-11-5-2-3-6-11)10-14(21)19-16-12(17)7-4-8-13(16)18/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,19,21).
What are the key properties of 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 343.25 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 7780171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).