3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

C27H24F3N3O2 — CID 24952933

IUPAC3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H24F3N3O2/c28-27(29,30)20-11-13-21(14-12-20)31-25(35)32-17-15-26(16-18-32)23(19-7-3-1-4-8-19)33(24(26)34)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,31,35)
InChIKeyABYKYGKCFPHLBN-UHFFFAOYSA-N
MW479.50 g/mol
LogP6.11
Rot. Bonds3

About 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24952933) has the molecular formula C27H24F3N3O2 and a molecular weight of 479.50 g/mol. Its IUPAC name is 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24952933
Molecular FormulaC27H24F3N3O2
Molecular Weight479.50 g/mol
Exact Mass479.18
IUPAC Name3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H24F3N3O2/c28-27(29,30)20-11-13-21(14-12-20)31-25(35)32-17-15-26(16-18-32)23(19-7-3-1-4-8-19)33(24(26)34)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,31,35)
InChIKeyABYKYGKCFPHLBN-UHFFFAOYSA-N
XLogP6.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24952933) is 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is ABYKYGKCFPHLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O2/c28-27(29,30)20-11-13-21(14-12-20)31-25(35)32-17-15-26(16-18-32)23(19-7-3-1-4-8-19)33(24(26)34)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,31,35).
What are the key properties of 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 479.50 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24952933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).