2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide

C15H18ClNO3 — CID 2568796

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H18ClNO3/c1-10(18)13-8-11(16)6-7-14(13)20-9-15(19)17-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,17,19)
InChIKeyHKUUKDOMAOVBFR-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide

2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide (PubChem CID 2568796) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide
PubChem CID2568796
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H18ClNO3/c1-10(18)13-8-11(16)6-7-14(13)20-9-15(19)17-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,17,19)
InChIKeyHKUUKDOMAOVBFR-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide (CID 2568796) is 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide is CC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide?
The InChIKey is HKUUKDOMAOVBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(18)13-8-11(16)6-7-14(13)20-9-15(19)17-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide?
2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide has a molecular weight of 295.77 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 2568796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).