1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C18H24ClFN2O — CID 162638158

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C18H24ClFN2O/c1-13(2)22-10-4-8-18(17(22)23)7-3-9-21(18)12-14-5-6-15(20)11-16(14)19/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyQSHNAVDKZNTREC-UHFFFAOYSA-N
MW338.85 g/mol
LogP3.84
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162638158) has the molecular formula C18H24ClFN2O and a molecular weight of 338.85 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162638158
Molecular FormulaC18H24ClFN2O
Molecular Weight338.85 g/mol
Exact Mass338.16
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C18H24ClFN2O/c1-13(2)22-10-4-8-18(17(22)23)7-3-9-21(18)12-14-5-6-15(20)11-16(14)19/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyQSHNAVDKZNTREC-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162636262
1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162637513
1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162636607
1-[(2-chloro-5-fluorophenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628391
1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162627482
1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638336
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 73013443
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317379
8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one
CID 134479372
2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one
CID 134479416
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethoxy-3-methylpyrrolidin-2-one
CID 174615665

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162638158) is 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2Cc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is QSHNAVDKZNTREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O/c1-13(2)22-10-4-8-18(17(22)23)7-3-9-21(18)12-14-5-6-15(20)11-16(14)19/h5-6,11,13H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 338.85 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162638158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).