4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C22H23FN2O3 — CID 155985953

IUPAC4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccccc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O3/c1-16-4-2-3-5-19(16)21(27)24-12-10-22(11-13-24)15-25(20(26)14-28-22)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3
InChIKeyVGZKPKIUFJDJJS-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.17
Rot. Bonds2

About 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155985953) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155985953
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccccc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O3/c1-16-4-2-3-5-19(16)21(27)24-12-10-22(11-13-24)15-25(20(26)14-28-22)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3
InChIKeyVGZKPKIUFJDJJS-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
4-(3-fluorophenyl)-9-(2-methoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986050
4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999182
10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999569
4-(4-fluorophenyl)-9-(1-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986011
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999673
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)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984314
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155985953) is 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1ccccc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VGZKPKIUFJDJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-16-4-2-3-5-19(16)21(27)24-12-10-22(11-13-24)15-25(20(26)14-28-22)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155985953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).