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

C17H22Cl2N2O2 — CID 7972157

IUPAC3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC1CCCC1
InChIInChI=1S/C17H22Cl2N2O2/c1-21(16(23)10-9-12-5-2-3-6-12)11-15(22)20-17-13(18)7-4-8-14(17)19/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,20,22)
InChIKeyMKHBCAKXCLGPOJ-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.36
Rot. Bonds6

About 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide

3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 7972157) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID7972157
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC1CCCC1
InChIInChI=1S/C17H22Cl2N2O2/c1-21(16(23)10-9-12-5-2-3-6-12)11-15(22)20-17-13(18)7-4-8-14(17)19/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,20,22)
InChIKeyMKHBCAKXCLGPOJ-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide (CID 7972157) is 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is MKHBCAKXCLGPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-21(16(23)10-9-12-5-2-3-6-12)11-15(22)20-17-13(18)7-4-8-14(17)19/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,20,22).
What are the key properties of 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide?
3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 357.28 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 7972157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).