8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

C23H22F5N3O3 — CID 71522732

IUPAC8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1
InChIInChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-15-4-6-16(7-5-15)34-23(26,27)28/h1-7H,8-14H2,(H,29,33)
InChIKeyDXNGQGZRRCPLBN-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.02
Rot. Bonds3

About 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 71522732) has the molecular formula C23H22F5N3O3 and a molecular weight of 483.44 g/mol. Its IUPAC name is 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID71522732
Molecular FormulaC23H22F5N3O3
Molecular Weight483.44 g/mol
Exact Mass483.16
IUPAC Name8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1
InChIInChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-15-4-6-16(7-5-15)34-23(26,27)28/h1-7H,8-14H2,(H,29,33)
InChIKeyDXNGQGZRRCPLBN-UHFFFAOYSA-N
XLogP5.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 71522732) is 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1.
What is the InChIKey of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is DXNGQGZRRCPLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-15-4-6-16(7-5-15)34-23(26,27)28/h1-7H,8-14H2,(H,29,33).
What are the key properties of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 483.44 g/mol, XLogP of 5.02, 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[4.5]decane-2-carboxamide is sourced from PubChem (CID 71522732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).