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

C23H26ClF2N3O — CID 24829606

IUPAC3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)N1CC2(CCN(C(=O)Nc3cc(F)ccc3F)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)9-11-28(12-10-23)22(30)27-20-13-18(25)7-8-19(20)26/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,27,30)
InChIKeyRLDUSAMJOPVJAZ-UHFFFAOYSA-N
MW433.93 g/mol
LogP5.70
Rot. Bonds3

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

3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24829606) has the molecular formula C23H26ClF2N3O and a molecular weight of 433.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24829606
Molecular FormulaC23H26ClF2N3O
Molecular Weight433.93 g/mol
Exact Mass433.17
IUPAC Name3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)N1CC2(CCN(C(=O)Nc3cc(F)ccc3F)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)9-11-28(12-10-23)22(30)27-20-13-18(25)7-8-19(20)26/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,27,30)
InChIKeyRLDUSAMJOPVJAZ-UHFFFAOYSA-N
XLogP5.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.93
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-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-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24829606) is 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)N1CC2(CCN(C(=O)Nc3cc(F)ccc3F)CC2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is RLDUSAMJOPVJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)9-11-28(12-10-23)22(30)27-20-13-18(25)7-8-19(20)26/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 433.93 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24829606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).