3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide

C22H23Cl2FN2O — CID 129116136

IUPAC3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESO=C(NC1CC12CCN(CCc1ccc(F)cc1)CC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H23Cl2FN2O/c23-17-11-16(12-18(24)13-17)21(28)26-20-14-22(20)6-9-27(10-7-22)8-5-15-1-3-19(25)4-2-15/h1-4,11-13,20H,5-10,14H2,(H,26,28)
InChIKeyLIHDDXPYQURLKR-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.96
Rot. Bonds5

About 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide

3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide (PubChem CID 129116136) has the molecular formula C22H23Cl2FN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide
PubChem CID129116136
Molecular FormulaC22H23Cl2FN2O
Molecular Weight421.34 g/mol
Exact Mass420.12
IUPAC Name3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESO=C(NC1CC12CCN(CCc1ccc(F)cc1)CC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H23Cl2FN2O/c23-17-11-16(12-18(24)13-17)21(28)26-20-14-22(20)6-9-27(10-7-22)8-5-15-1-3-19(25)4-2-15/h1-4,11-13,20H,5-10,14H2,(H,26,28)
InChIKeyLIHDDXPYQURLKR-UHFFFAOYSA-N
XLogP4.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide 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 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide (CID 129116136) is 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide is O=C(NC1CC12CCN(CCc1ccc(F)cc1)CC2)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
The InChIKey is LIHDDXPYQURLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN2O/c23-17-11-16(12-18(24)13-17)21(28)26-20-14-22(20)6-9-27(10-7-22)8-5-15-1-3-19(25)4-2-15/h1-4,11-13,20H,5-10,14H2,(H,26,28).
What are the key properties of 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide has a molecular weight of 421.34 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[6-[2-(4-fluorophenyl)ethyl]-6-azaspiro[2.5]octan-2-yl]benzamide is sourced from PubChem (CID 129116136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).