6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C22H22ClFN2O3 — CID 146068341

IUPAC6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C22H22ClFN2O3/c23-17-6-7-19(24)18(12-17)21(28)25-10-8-20(27)26(13-16-4-2-1-3-5-16)22(14-25)9-11-29-15-22/h1-7,12H,8-11,13-15H2
InChIKeyZGIYHQYELWKNKN-UHFFFAOYSA-N
MW416.88 g/mol
LogP3.51
Rot. Bonds3

About 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146068341) has the molecular formula C22H22ClFN2O3 and a molecular weight of 416.88 g/mol. Its IUPAC name is 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146068341
Molecular FormulaC22H22ClFN2O3
Molecular Weight416.88 g/mol
Exact Mass416.13
IUPAC Name6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C22H22ClFN2O3/c23-17-6-7-19(24)18(12-17)21(28)25-10-8-20(27)26(13-16-4-2-1-3-5-16)22(14-25)9-11-29-15-22/h1-7,12H,8-11,13-15H2
InChIKeyZGIYHQYELWKNKN-UHFFFAOYSA-N
XLogP3.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068336
10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066856
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066819
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071110
1-benzyl-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829263
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146068341) is 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is O=C(c1cc(Cl)ccc1F)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1.
What is the InChIKey of 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is ZGIYHQYELWKNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O3/c23-17-6-7-19(24)18(12-17)21(28)25-10-8-20(27)26(13-16-4-2-1-3-5-16)22(14-25)9-11-29-15-22/h1-7,12H,8-11,13-15H2.
What are the key properties of 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 416.88 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146068341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).