3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C21H22ClF2N3O — CID 24831706

IUPAC3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClF2N3O/c1-26-13-21(19(26)14-2-4-15(22)5-3-14)6-8-27(9-7-21)20(28)25-18-11-16(23)10-17(24)12-18/h2-5,10-12,19H,6-9,13H2,1H3,(H,25,28)
InChIKeyTWBFKHGAPSZHPL-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.92
Rot. Bonds2

About 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24831706) has the molecular formula C21H22ClF2N3O and a molecular weight of 405.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24831706
Molecular FormulaC21H22ClF2N3O
Molecular Weight405.88 g/mol
Exact Mass405.14
IUPAC Name3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClF2N3O/c1-26-13-21(19(26)14-2-4-15(22)5-3-14)6-8-27(9-7-21)20(28)25-18-11-16(23)10-17(24)12-18/h2-5,10-12,19H,6-9,13H2,1H3,(H,25,28)
InChIKeyTWBFKHGAPSZHPL-UHFFFAOYSA-N
XLogP4.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide 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-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24831706) is 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is TWBFKHGAPSZHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF2N3O/c1-26-13-21(19(26)14-2-4-15(22)5-3-14)6-8-27(9-7-21)20(28)25-18-11-16(23)10-17(24)12-18/h2-5,10-12,19H,6-9,13H2,1H3,(H,25,28).
What are the key properties of 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 405.88 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24831706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).