curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one

C20H17CmF4N2O2- — CID 166107787

IUPACcurium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one
SMILESO=C1NC2(CC[N-]C2Cc2cccc(-c3cc(F)cc(F)c3)c2F)COC1F.[Cm]
InChIInChI=1S/C20H17F4N2O2.Cm/c21-13-6-12(7-14(22)9-13)15-3-1-2-11(17(15)23)8-16-20(4-5-25-16)10-28-18(24)19(27)26-20;/h1-3,6-7,9,16,18H,4-5,8,10H2,(H,26,27);/q-1;
InChIKeyDSCHACMYKAOXBX-UHFFFAOYSA-N
MW640.36 g/mol
LogP3.64
Rot. Bonds3

About curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one

curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one (PubChem CID 166107787) has the molecular formula C20H17CmF4N2O2- and a molecular weight of 640.36 g/mol. Its IUPAC name is curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one.

Molecular Properties

Compound Namecurium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one
PubChem CID166107787
Molecular FormulaC20H17CmF4N2O2-
Molecular Weight640.36 g/mol
Exact Mass636.18
IUPAC Namecurium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one
SMILESO=C1NC2(CC[N-]C2Cc2cccc(-c3cc(F)cc(F)c3)c2F)COC1F.[Cm]
InChIInChI=1S/C20H17F4N2O2.Cm/c21-13-6-12(7-14(22)9-13)15-3-1-2-11(17(15)23)8-16-20(4-5-25-16)10-28-18(24)19(27)26-20;/h1-3,6-7,9,16,18H,4-5,8,10H2,(H,26,27);/q-1;
InChIKeyDSCHACMYKAOXBX-UHFFFAOYSA-N
XLogP3.64
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-ethenyl-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107488
1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-(2-fluorocyclopropanecarbonyl)-3-methyl-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107766
(1S,3R,5S)-1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-(2-fluorocyclobutanecarbonyl)-3-methyl-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107597
(1S,3R,5S)-1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-ethyl-3-methyl-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
CID 166107705
(1S,3R,5S)-1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-3-methyl-2-(3,3,3-trifluoropropanoyl)-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107492
1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-(1-fluoroaziridine-2-carbonyl)-3-methyl-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107696
(1S,4R,5S)-1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-ethyl-4-methyl-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
CID 166107587
(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169173555
N-[(6S,7S)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-[(2R)-oxetane-2-carbonyl]-5-azaspiro[2.4]heptan-7-yl]ethanesulfonamide
CID 162749641
2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-3-[(sulfinatoamino)methyl]piperidine
CID 175949329
2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-ethylsulfanyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine
CID 154665351
7-(difluoromethylsulfanylamino)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-azaspiro[2.4]heptane-5-carbaldehyde
CID 169173463

Frequently Asked Questions

What is the IUPAC name of curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one?
The IUPAC name of curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one (CID 166107787) is curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one.
What is the SMILES notation for curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one?
The canonical SMILES for curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one is O=C1NC2(CC[N-]C2Cc2cccc(-c3cc(F)cc(F)c3)c2F)COC1F.[Cm].
What is the InChIKey of curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one?
The InChIKey is DSCHACMYKAOXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N2O2.Cm/c21-13-6-12(7-14(22)9-13)15-3-1-2-11(17(15)23)8-16-20(4-5-25-16)10-28-18(24)19(27)26-20;/h1-3,6-7,9,16,18H,4-5,8,10H2,(H,26,27);/q-1;.
What are the key properties of curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one?
curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one has a molecular weight of 640.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for curium;1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-8-fluoro-9-oxa-6-aza-2-azanidaspiro[4.5]decan-7-one is sourced from PubChem (CID 166107787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).