2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide

C15H19BrClNO2 — CID 1226778

IUPAC2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H19BrClNO2/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3
InChIKeyQUJDMRFUDWGIHS-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide

2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide (PubChem CID 1226778) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
PubChem CID1226778
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H19BrClNO2/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3
InChIKeyQUJDMRFUDWGIHS-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide (CID 1226778) is 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide is CN(C(=O)COc1ccc(Br)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide?
The InChIKey is QUJDMRFUDWGIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide?
2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide has a molecular weight of 360.68 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 1226778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).