8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C21H20F2N2O3 — CID 155999467

IUPAC8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccc(F)cc1F)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C21H20F2N2O3/c22-15-7-8-17(18(23)11-15)20(27)24-10-4-9-21(13-24)14-25(19(26)12-28-21)16-5-2-1-3-6-16/h1-3,5-8,11H,4,9-10,12-14H2
InChIKeyYPXDFCMJJCTOLB-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.00
Rot. Bonds2

About 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999467) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155999467
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccc(F)cc1F)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C21H20F2N2O3/c22-15-7-8-17(18(23)11-15)20(27)24-10-4-9-21(13-24)14-25(19(26)12-28-21)16-5-2-1-3-6-16/h1-3,5-8,11H,4,9-10,12-14H2
InChIKeyYPXDFCMJJCTOLB-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999569
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999520
8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999463
4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999580
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
8-(4-methylthiophene-2-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999528
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
4-(4-fluorophenyl)-8-(2-methylpyridine-4-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999610

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999467) is 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is O=C(c1ccc(F)cc1F)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YPXDFCMJJCTOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c22-15-7-8-17(18(23)11-15)20(27)24-10-4-9-21(13-24)14-25(19(26)12-28-21)16-5-2-1-3-6-16/h1-3,5-8,11H,4,9-10,12-14H2.
What are the key properties of 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 386.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).