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

C22H23FN2O3 — CID 155999463

IUPAC8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccccc1F)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O3/c23-19-10-5-4-7-17(19)13-20(26)24-12-6-11-22(15-24)16-25(21(27)14-28-22)18-8-2-1-3-9-18/h1-5,7-10H,6,11-16H2
InChIKeyMBWGZYKSMFPCML-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.79
Rot. Bonds3

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

8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999463) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155999463
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccccc1F)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O3/c23-19-10-5-4-7-17(19)13-20(26)24-12-6-11-22(15-24)16-25(21(27)14-28-22)18-8-2-1-3-9-18/h1-5,7-10H,6,11-16H2
InChIKeyMBWGZYKSMFPCML-UHFFFAOYSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
8-[3-(azepan-1-yl)propanoyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999557
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999467
9-[(2-fluorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985914
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
4-(4-fluorophenyl)-8-(2-methoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986165
8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999520
8-(4-methylthiophene-2-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999528
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999463) is 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is O=C(Cc1ccccc1F)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MBWGZYKSMFPCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-19-10-5-4-7-17(19)13-20(26)24-12-6-11-22(15-24)16-25(21(27)14-28-22)18-8-2-1-3-9-18/h1-5,7-10H,6,11-16H2.
What are the key properties of 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).