N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide

C24H28FN3O2 — CID 58237136

IUPACN-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide
SMILESCN(C)c1cccc(N2CC[C@]3(CCC[C@H](NC(=O)c4cccc(F)c4)C3)C2=O)c1
InChIInChI=1S/C24H28FN3O2/c1-27(2)20-9-4-10-21(15-20)28-13-12-24(23(28)30)11-5-8-19(16-24)26-22(29)17-6-3-7-18(25)14-17/h3-4,6-7,9-10,14-15,19H,5,8,11-13,16H2,1-2H3,(H,26,29)/t19-,24-/m0/s1
InChIKeyLQGUIPHOBIFEGG-CYFREDJKSA-N
MW409.51 g/mol
LogP3.99
Rot. Bonds4

About N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide

N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide (PubChem CID 58237136) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide
PubChem CID58237136
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide
SMILESCN(C)c1cccc(N2CC[C@]3(CCC[C@H](NC(=O)c4cccc(F)c4)C3)C2=O)c1
InChIInChI=1S/C24H28FN3O2/c1-27(2)20-9-4-10-21(15-20)28-13-12-24(23(28)30)11-5-8-19(16-24)26-22(29)17-6-3-7-18(25)14-17/h3-4,6-7,9-10,14-15,19H,5,8,11-13,16H2,1-2H3,(H,26,29)/t19-,24-/m0/s1
InChIKeyLQGUIPHOBIFEGG-CYFREDJKSA-N
XLogP3.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide with MolForge

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Related Compounds

N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
3-fluoro-N-[(5S,7S)-2-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide
CID 67108472
3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide
CID 67108815
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
3-fluoro-N-(1-oxo-2-propyl-2-azaspiro[4.5]decan-7-yl)benzamide
CID 67108219
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67108524
(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
CID 58237246
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123
3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide
CID 163789284

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide?
The IUPAC name of N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide (CID 58237136) is N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide?
The canonical SMILES for N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide is CN(C)c1cccc(N2CC[C@]3(CCC[C@H](NC(=O)c4cccc(F)c4)C3)C2=O)c1.
What is the InChIKey of N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide?
The InChIKey is LQGUIPHOBIFEGG-CYFREDJKSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-27(2)20-9-4-10-21(15-20)28-13-12-24(23(28)30)11-5-8-19(16-24)26-22(29)17-6-3-7-18(25)14-17/h3-4,6-7,9-10,14-15,19H,5,8,11-13,16H2,1-2H3,(H,26,29)/t19-,24-/m0/s1.
What are the key properties of N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide?
N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide has a molecular weight of 409.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide is sourced from PubChem (CID 58237136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).