2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide

C15H17Cl2NO2 — CID 3776214

IUPAC2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide
SMILESCN(C(=O)CCl)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H17Cl2NO2/c1-18(14(20)10-16)15(9-5-4-8-13(15)19)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyOWNJTNDBCTYHKG-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.38
Rot. Bonds3

About 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide

2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide (PubChem CID 3776214) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide
PubChem CID3776214
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide
SMILESCN(C(=O)CCl)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H17Cl2NO2/c1-18(14(20)10-16)15(9-5-4-8-13(15)19)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyOWNJTNDBCTYHKG-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide (CID 3776214) is 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide is CN(C(=O)CCl)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide?
The InChIKey is OWNJTNDBCTYHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-18(14(20)10-16)15(9-5-4-8-13(15)19)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide?
2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide has a molecular weight of 314.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide is sourced from PubChem (CID 3776214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).