2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide

C15H21ClN2O — CID 108993493

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
SMILESCc1cc(C)c(NCC(=O)NC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-7-11(2)15(13(16)8-10)17-9-14(19)18-12-5-3-4-6-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)
InChIKeySTSPBESMXWQULU-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide

2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide (PubChem CID 108993493) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
PubChem CID108993493
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
SMILESCc1cc(C)c(NCC(=O)NC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-7-11(2)15(13(16)8-10)17-9-14(19)18-12-5-3-4-6-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)
InChIKeySTSPBESMXWQULU-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4,6-difluoroanilino)-N-cyclohexylacetamide
CID 82889686
2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 42125339
N-cyclohexyl-2-(2,5-dichloro-4-methylanilino)acetamide
CID 104726780
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
CID 109132479
N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
CID 28992040
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957492
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
(Z)-3-(2-chloro-4,6-dimethylanilino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831603

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide (CID 108993493) is 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide is Cc1cc(C)c(NCC(=O)NC2CCCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide?
The InChIKey is STSPBESMXWQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-7-11(2)15(13(16)8-10)17-9-14(19)18-12-5-3-4-6-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide?
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide has a molecular weight of 280.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 108993493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).