4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C23H25FN2O3 — CID 155986315

IUPAC4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccc(C(=O)N2CCCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1
InChIInChI=1S/C23H25FN2O3/c1-17-6-8-18(9-7-17)22(28)25-12-3-10-23(11-13-25)16-26(21(27)15-29-23)20-5-2-4-19(24)14-20/h2,4-9,14H,3,10-13,15-16H2,1H3
InChIKeyXJBSVKDNBHDKNK-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.56
Rot. Bonds2

About 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986315) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986315
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccc(C(=O)N2CCCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1
InChIInChI=1S/C23H25FN2O3/c1-17-6-8-18(9-7-17)22(28)25-12-3-10-23(11-13-25)16-26(21(27)15-29-23)20-5-2-4-19(24)14-20/h2,4-9,14H,3,10-13,15-16H2,1H3
InChIKeyXJBSVKDNBHDKNK-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985951
4-(3-fluorophenyl)-10-(6-methylpyridine-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986326
4-(3-fluorophenyl)-10-(1-methylimidazole-2-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986285
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
(6R)-4-(4-methylphenyl)-10-[3-(pyrimidin-2-ylamino)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 124960960
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818
10-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110151048

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986315) is 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is Cc1ccc(C(=O)N2CCCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is XJBSVKDNBHDKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-17-6-8-18(9-7-17)22(28)25-12-3-10-23(11-13-25)16-26(21(27)15-29-23)20-5-2-4-19(24)14-20/h2,4-9,14H,3,10-13,15-16H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 396.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).