2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide

C15H19ClFNO2 — CID 9402945

IUPAC2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide
SMILESO=C(COc1ccc(F)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C15H19ClFNO2/c16-13-9-11(17)7-8-14(13)20-10-15(19)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,18,19)
InChIKeySPCXUDKKRKFJNG-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.70
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide

2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide (PubChem CID 9402945) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide
PubChem CID9402945
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide
SMILESO=C(COc1ccc(F)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C15H19ClFNO2/c16-13-9-11(17)7-8-14(13)20-10-15(19)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,18,19)
InChIKeySPCXUDKKRKFJNG-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide 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-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide (CID 9402945) is 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide is O=C(COc1ccc(F)cc1Cl)NC1CCCCCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide?
The InChIKey is SPCXUDKKRKFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c16-13-9-11(17)7-8-14(13)20-10-15(19)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide?
2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide has a molecular weight of 299.77 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 9402945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).