9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide

C24H24F5N3O2 — CID 71566458

IUPAC9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CCN(C(=O)c1c(F)cccc1F)CC2
InChIInChI=1S/C24H24F5N3O2/c25-18-2-1-3-19(26)20(18)21(33)31-12-8-23(9-13-31)10-14-32(15-11-23)22(34)30-17-6-4-16(5-7-17)24(27,28)29/h1-7H,8-15H2,(H,30,34)
InChIKeyYPEWTIGPTAAQEN-UHFFFAOYSA-N
MW481.47 g/mol
LogP5.53
Rot. Bonds2

About 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide

9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 71566458) has the molecular formula C24H24F5N3O2 and a molecular weight of 481.47 g/mol. Its IUPAC name is 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID71566458
Molecular FormulaC24H24F5N3O2
Molecular Weight481.47 g/mol
Exact Mass481.18
IUPAC Name9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CCN(C(=O)c1c(F)cccc1F)CC2
InChIInChI=1S/C24H24F5N3O2/c25-18-2-1-3-19(26)20(18)21(33)31-12-8-23(9-13-31)10-14-32(15-11-23)22(34)30-17-6-4-16(5-7-17)24(27,28)29/h1-7H,8-15H2,(H,30,34)
InChIKeyYPEWTIGPTAAQEN-UHFFFAOYSA-N
XLogP5.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide with MolForge

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Related Compounds

8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 71679837
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
4-(3-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91319838
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(2,6-difluorophenyl)methanone
CID 131703355
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 95974335
N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 74236962
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 71566458) is 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CCN(C(=O)c1c(F)cccc1F)CC2.
What is the InChIKey of 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is YPEWTIGPTAAQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N3O2/c25-18-2-1-3-19(26)20(18)21(33)31-12-8-23(9-13-31)10-14-32(15-11-23)22(34)30-17-6-4-16(5-7-17)24(27,28)29/h1-7H,8-15H2,(H,30,34).
What are the key properties of 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 481.47 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 71566458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).