8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide

C24H24F5N3O3 — CID 71679837

IUPAC8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC2(CCCN(C(=O)c3c(F)cccc3F)C2)C1
InChIInChI=1S/C24H24F5N3O3/c25-18-4-1-5-19(26)20(18)21(33)31-12-2-10-23(14-31)11-3-13-32(15-23)22(34)30-16-6-8-17(9-7-16)35-24(27,28)29/h1,4-9H,2-3,10-15H2,(H,30,34)
InChIKeyHKSUQZGAFPKDKP-UHFFFAOYSA-N
MW497.46 g/mol
LogP5.41
Rot. Bonds3

About 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide

8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 71679837) has the molecular formula C24H24F5N3O3 and a molecular weight of 497.46 g/mol. Its IUPAC name is 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound Name8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID71679837
Molecular FormulaC24H24F5N3O3
Molecular Weight497.46 g/mol
Exact Mass497.17
IUPAC Name8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC2(CCCN(C(=O)c3c(F)cccc3F)C2)C1
InChIInChI=1S/C24H24F5N3O3/c25-18-4-1-5-19(26)20(18)21(33)31-12-2-10-23(14-31)11-3-13-32(15-23)22(34)30-16-6-8-17(9-7-16)35-24(27,28)29/h1,4-9H,2-3,10-15H2,(H,30,34)
InChIKeyHKSUQZGAFPKDKP-UHFFFAOYSA-N
XLogP5.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-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 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide (CID 71679837) is 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC2(CCCN(C(=O)c3c(F)cccc3F)C2)C1.
What is the InChIKey of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is HKSUQZGAFPKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N3O3/c25-18-4-1-5-19(26)20(18)21(33)31-12-2-10-23(14-31)11-3-13-32(15-23)22(34)30-16-6-8-17(9-7-16)35-24(27,28)29/h1,4-9H,2-3,10-15H2,(H,30,34).
What are the key properties of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide?
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 71679837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).