8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione

C20H18F2N2O3 — CID 167623480

IUPAC8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESCc1ccc(N2CC(=O)N(Cc3ccc(F)cc3)C3(COC3)C2=O)c(F)c1
InChIInChI=1S/C20H18F2N2O3/c1-13-2-7-17(16(22)8-13)23-10-18(25)24(20(19(23)26)11-27-12-20)9-14-3-5-15(21)6-4-14/h2-8H,9-12H2,1H3
InChIKeyMTNPPOHJCFFFGB-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.42
Rot. Bonds3

About 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione

8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione (PubChem CID 167623480) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
PubChem CID167623480
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESCc1ccc(N2CC(=O)N(Cc3ccc(F)cc3)C3(COC3)C2=O)c(F)c1
InChIInChI=1S/C20H18F2N2O3/c1-13-2-7-17(16(22)8-13)23-10-18(25)24(20(19(23)26)11-27-12-20)9-14-3-5-15(21)6-4-14/h2-8H,9-12H2,1H3
InChIKeyMTNPPOHJCFFFGB-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-fluoro-5-methyl-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 167632049
8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 167626887
8-(3,5-dimethyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 167669825
methyl (5S)-6-[(4-chlorophenyl)methyl]-9-(4-cyano-2-fluorophenyl)-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146435048
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 146465038
4-[6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonan-8-yl]-3-fluorobenzonitrile;2,2,2-trifluoroacetic acid
CID 146425389
8-(4-cyano-2-fluorophenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
CID 167642877
2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione
CID 167676251
bis(carbon dioxide);4-[6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]-3-fluorobenzonitrile;3-fluoro-4-[2-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonan-8-yl]benzonitrile
CID 161411918
1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
4-(chloromethyl)-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168507753

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione (CID 167623480) is 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione is Cc1ccc(N2CC(=O)N(Cc3ccc(F)cc3)C3(COC3)C2=O)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The InChIKey is MTNPPOHJCFFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-13-2-7-17(16(22)8-13)23-10-18(25)24(20(19(23)26)11-27-12-20)9-14-3-5-15(21)6-4-14/h2-8H,9-12H2,1H3.
What are the key properties of 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione has a molecular weight of 372.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methylphenyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 167623480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).