3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione

C23H20ClF4NO3 — CID 123302144

IUPAC3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1cc(F)c(-c2ccc(Cl)cc2)cc1C1C(=O)NC2(CCC(O)(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C23H20ClF4NO3/c1-12-10-17(25)16(13-2-4-14(24)5-3-13)11-15(12)18-19(30)21(29-20(18)31)6-8-22(32,9-7-21)23(26,27)28/h2-5,10-11,18,32H,6-9H2,1H3,(H,29,31)
InChIKeyOWRZVTWUGPLDJI-UHFFFAOYSA-N
MW469.86 g/mol
LogP4.84
Rot. Bonds2

About 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione

3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 123302144) has the molecular formula C23H20ClF4NO3 and a molecular weight of 469.86 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID123302144
Molecular FormulaC23H20ClF4NO3
Molecular Weight469.86 g/mol
Exact Mass469.11
IUPAC Name3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1cc(F)c(-c2ccc(Cl)cc2)cc1C1C(=O)NC2(CCC(O)(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C23H20ClF4NO3/c1-12-10-17(25)16(13-2-4-14(24)5-3-13)11-15(12)18-19(30)21(29-20(18)31)6-8-22(32,9-7-21)23(26,27)28/h2-5,10-11,18,32H,6-9H2,1H3,(H,29,31)
InChIKeyOWRZVTWUGPLDJI-UHFFFAOYSA-N
XLogP4.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 91213569
3-[2-chloro-5-(3,4-difluorophenyl)phenyl]-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77242693
2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione
CID 123689759
3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123284062
3-(5-bromo-2,4-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 70891070
3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione
CID 123475658
3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 22327495
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123199500
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-5-(2-hydroxyethyl)-5-methylpyrrolidine-2,4-dione
CID 90750009
3-(2-bromo-5-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 91082578
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8,8-dimethyl-1-azaspiro[4.5]dec-3-en-2-one
CID 67375946
3-[5-(4-chloro-3-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-8-(trifluoromethyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 71492562

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione (CID 123302144) is 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione is Cc1cc(F)c(-c2ccc(Cl)cc2)cc1C1C(=O)NC2(CCC(O)(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is OWRZVTWUGPLDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF4NO3/c1-12-10-17(25)16(13-2-4-14(24)5-3-13)11-15(12)18-19(30)21(29-20(18)31)6-8-22(32,9-7-21)23(26,27)28/h2-5,10-11,18,32H,6-9H2,1H3,(H,29,31).
What are the key properties of 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione?
3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 469.86 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123302144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).