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

C24H28ClF2N3O — CID 24829434

IUPAC3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClF2N3O/c1-16(2)14-30-15-24(22(30)17-3-5-18(25)6-4-17)7-9-29(10-8-24)23(31)28-21-12-19(26)11-20(27)13-21/h3-6,11-13,16,22H,7-10,14-15H2,1-2H3,(H,28,31)
InChIKeyCRJZLZIFNPMFEE-UHFFFAOYSA-N
MW447.96 g/mol
LogP5.95
Rot. Bonds4

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

3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24829434) has the molecular formula C24H28ClF2N3O and a molecular weight of 447.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24829434
Molecular FormulaC24H28ClF2N3O
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC Name3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClF2N3O/c1-16(2)14-30-15-24(22(30)17-3-5-18(25)6-4-17)7-9-29(10-8-24)23(31)28-21-12-19(26)11-20(27)13-21/h3-6,11-13,16,22H,7-10,14-15H2,1-2H3,(H,28,31)
InChIKeyCRJZLZIFNPMFEE-UHFFFAOYSA-N
XLogP5.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.96
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24829434) is 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)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-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is CRJZLZIFNPMFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF2N3O/c1-16(2)14-30-15-24(22(30)17-3-5-18(25)6-4-17)7-9-29(10-8-24)23(31)28-21-12-19(26)11-20(27)13-21/h3-6,11-13,16,22H,7-10,14-15H2,1-2H3,(H,28,31).
What are the key properties of 3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 447.96 g/mol, XLogP of 5.95, 4 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-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24829434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).