9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C21H20F2N2O3 — CID 155985994

IUPAC9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C21H20F2N2O3/c22-16-3-1-15(2-4-16)20(27)24-11-9-21(10-12-24)14-25(19(26)13-28-21)18-7-5-17(23)6-8-18/h1-8H,9-14H2
InChIKeyHUKXPLLVEUZZKK-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.00
Rot. Bonds2

About 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155985994) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155985994
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C21H20F2N2O3/c22-16-3-1-15(2-4-16)20(27)24-11-9-21(10-12-24)14-25(19(26)13-28-21)18-7-5-17(23)6-8-18/h1-8H,9-14H2
InChIKeyHUKXPLLVEUZZKK-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-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575
4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999182
4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999673
4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985953
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985951
4-(4-fluorophenyl)-9-(1-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986011
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315
10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985840
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175
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 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155985994) is 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C(c1ccc(F)cc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HUKXPLLVEUZZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c22-16-3-1-15(2-4-16)20(27)24-11-9-21(10-12-24)14-25(19(26)13-28-21)18-7-5-17(23)6-8-18/h1-8H,9-14H2.
What are the key properties of 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-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 9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155985994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).