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

C23H26ClFN2O — CID 162625681

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(CCc2ccccc2)CCCC12CCCN2Cc1ccc(Cl)cc1F
InChIInChI=1S/C23H26ClFN2O/c24-20-9-8-19(21(25)16-20)17-27-14-5-12-23(27)11-4-13-26(22(23)28)15-10-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2
InChIKeyVEVCESXWRNASIE-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.68
Rot. Bonds5

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

1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162625681) has the molecular formula C23H26ClFN2O and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162625681
Molecular FormulaC23H26ClFN2O
Molecular Weight400.93 g/mol
Exact Mass400.17
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(CCc2ccccc2)CCCC12CCCN2Cc1ccc(Cl)cc1F
InChIInChI=1S/C23H26ClFN2O/c24-20-9-8-19(21(25)16-20)17-27-14-5-12-23(27)11-4-13-26(22(23)28)15-10-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2
InChIKeyVEVCESXWRNASIE-UHFFFAOYSA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317379
1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638158
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163319449
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 73013443

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162625681) is 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1N(CCc2ccccc2)CCCC12CCCN2Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is VEVCESXWRNASIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O/c24-20-9-8-19(21(25)16-20)17-27-14-5-12-23(27)11-4-13-26(22(23)28)15-10-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 400.93 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162625681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).