4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide

C28H25F3N2O4 — CID 171685278

IUPAC4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESO=C(NC1CC12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C28H25F3N2O4/c29-23-16-21(37-27(30)31)10-11-22(23)25(34)32-24-17-28(24)12-14-33(15-13-28)26(35)18-6-8-20(9-7-18)36-19-4-2-1-3-5-19/h1-11,16,24,27H,12-15,17H2,(H,32,34)
InChIKeyDFFXKIQLWNFRDD-UHFFFAOYSA-N
MW510.51 g/mol
LogP5.64
Rot. Bonds7

About 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide

4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide (PubChem CID 171685278) has the molecular formula C28H25F3N2O4 and a molecular weight of 510.51 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide
PubChem CID171685278
Molecular FormulaC28H25F3N2O4
Molecular Weight510.51 g/mol
Exact Mass510.18
IUPAC Name4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESO=C(NC1CC12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C28H25F3N2O4/c29-23-16-21(37-27(30)31)10-11-22(23)25(34)32-24-17-28(24)12-14-33(15-13-28)26(35)18-6-8-20(9-7-18)36-19-4-2-1-3-5-19/h1-11,16,24,27H,12-15,17H2,(H,32,34)
InChIKeyDFFXKIQLWNFRDD-UHFFFAOYSA-N
XLogP5.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide with MolForge

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Related Compounds

2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 171698481
N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide
CID 171683997
2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 171681534
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
N-[6-(3,4-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 169410817
N-[6-(2,6-difluorobenzoyl)-6-azaspiro[2.5]octan-2-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 171680445
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 86275091
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide (CID 171685278) is 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide is O=C(NC1CC12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2)c1ccc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
The InChIKey is DFFXKIQLWNFRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O4/c29-23-16-21(37-27(30)31)10-11-22(23)25(34)32-24-17-28(24)12-14-33(15-13-28)26(35)18-6-8-20(9-7-18)36-19-4-2-1-3-5-19/h1-11,16,24,27H,12-15,17H2,(H,32,34).
What are the key properties of 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide has a molecular weight of 510.51 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide is sourced from PubChem (CID 171685278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).