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

C22H23FN2O3 — CID 155985951

IUPAC4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1
InChIInChI=1S/C22H23FN2O3/c1-16-5-7-17(8-6-16)21(27)24-11-9-22(10-12-24)15-25(20(26)14-28-22)19-4-2-3-18(23)13-19/h2-8,13H,9-12,14-15H2,1H3
InChIKeyZDHQNZJTDOLVON-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.17
Rot. Bonds2

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

4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155985951) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155985951
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1
InChIInChI=1S/C22H23FN2O3/c1-16-5-7-17(8-6-16)21(27)24-11-9-22(10-12-24)15-25(20(26)14-28-22)19-4-2-3-18(23)13-19/h2-8,13H,9-12,14-15H2,1H3
InChIKeyZDHQNZJTDOLVON-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

4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315
4-(3-fluorophenyl)-10-(6-methylpyridine-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986326
9-(3-fluorophenyl)-2-(2-methylpyrimidine-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986120
4-(3-fluorophenyl)-9-(2-methoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986050
4-(3-fluorophenyl)-9-(2-methylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985831
4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
4-(3-fluorophenyl)-10-(1-methylimidazole-2-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986285
2-[2-(dimethylamino)acetyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986078
4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999182
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041
4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985953

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155985951) is 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZDHQNZJTDOLVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-16-5-7-17(8-6-16)21(27)24-11-9-22(10-12-24)15-25(20(26)14-28-22)19-4-2-3-18(23)13-19/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(3-fluorophenyl)-9-(4-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-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155985951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).