8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

C20H21ClFN3O — CID 22022233

IUPAC8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(F)cc2)C12CCN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C20H21ClFN3O/c21-16-3-1-15(2-4-16)13-24-11-9-20(10-12-24)19(26)23-14-25(20)18-7-5-17(22)6-8-18/h1-8H,9-14H2,(H,23,26)
InChIKeyKTYXKWCNSFLYHL-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.41
Rot. Bonds3

About 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 22022233) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID22022233
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(F)cc2)C12CCN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C20H21ClFN3O/c21-16-3-1-15(2-4-16)13-24-11-9-20(10-12-24)19(26)23-14-25(20)18-7-5-17(22)6-8-18/h1-8H,9-14H2,(H,23,26)
InChIKeyKTYXKWCNSFLYHL-UHFFFAOYSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 54296121
8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 123914569
1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 54186801
8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 3045886
2-amino-N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
CID 21428870
8-(2-aminoethyl)-1-(3,4-difluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 46939133
8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 54025158
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
ethyl 1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 12834315
3-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 3688277
9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 95853385
8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 134794909

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 22022233) is 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccc(F)cc2)C12CCN(Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is KTYXKWCNSFLYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c21-16-3-1-15(2-4-16)13-24-11-9-20(10-12-24)19(26)23-14-25(20)18-7-5-17(22)6-8-18/h1-8H,9-14H2,(H,23,26).
What are the key properties of 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 373.86 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 22022233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).