2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide

C29H25F3N2O4 — CID 171698481

IUPAC2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESO=C(NC1CC12CCN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2)C(=O)c1ccccc1
InChIInChI=1S/C29H25F3N2O4/c30-29(31,32)21-8-12-23(13-9-21)38-22-10-6-20(7-11-22)27(37)34-16-14-28(15-17-34)18-24(28)33-26(36)25(35)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,33,36)
InChIKeyHTLKZWRKDJFKKO-UHFFFAOYSA-N
MW522.52 g/mol
LogP5.49
Rot. Bonds6

About 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide

2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide (PubChem CID 171698481) has the molecular formula C29H25F3N2O4 and a molecular weight of 522.52 g/mol. Its IUPAC name is 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide.

Molecular Properties

Compound Name2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
PubChem CID171698481
Molecular FormulaC29H25F3N2O4
Molecular Weight522.52 g/mol
Exact Mass522.18
IUPAC Name2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESO=C(NC1CC12CCN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2)C(=O)c1ccccc1
InChIInChI=1S/C29H25F3N2O4/c30-29(31,32)21-8-12-23(13-9-21)38-22-10-6-20(7-11-22)27(37)34-16-14-28(15-17-34)18-24(28)33-26(36)25(35)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,33,36)
InChIKeyHTLKZWRKDJFKKO-UHFFFAOYSA-N
XLogP5.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 171681534
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide
CID 142028510
4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 171685278
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
[4-(methylamino)phenyl]-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,8-diazaspiro[5.5]undecan-8-yl]methanone
CID 171683984
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
2-phenoxy-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 110364837
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The IUPAC name of 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide (CID 171698481) is 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide.
What is the SMILES notation for 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The canonical SMILES for 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide is O=C(NC1CC12CCN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2)C(=O)c1ccccc1.
What is the InChIKey of 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The InChIKey is HTLKZWRKDJFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N2O4/c30-29(31,32)21-8-12-23(13-9-21)38-22-10-6-20(7-11-22)27(37)34-16-14-28(15-17-34)18-24(28)33-26(36)25(35)19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,33,36).
What are the key properties of 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide has a molecular weight of 522.52 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide is sourced from PubChem (CID 171698481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).