3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide

C23H24F2N2O3 — CID 163789284

IUPAC3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1C[C@@H](O)C[C@@]2(CCN(c3cccc(F)c3)C2=O)C1)c1cccc(F)c1
InChIInChI=1S/C23H24F2N2O3/c24-17-4-1-3-16(10-17)21(29)26-14-15-9-20(28)13-23(12-15)7-8-27(22(23)30)19-6-2-5-18(25)11-19/h1-6,10-11,15,20,28H,7-9,12-14H2,(H,26,29)/t15-,20-,23-/m1/s1
InChIKeyMVHFVNSQPVQNTE-ZFUCPZCZSA-N
MW414.45 g/mol
LogP3.28
Rot. Bonds4

About 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide

3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide (PubChem CID 163789284) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide
PubChem CID163789284
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC Name3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1C[C@@H](O)C[C@@]2(CCN(c3cccc(F)c3)C2=O)C1)c1cccc(F)c1
InChIInChI=1S/C23H24F2N2O3/c24-17-4-1-3-16(10-17)21(29)26-14-15-9-20(28)13-23(12-15)7-8-27(22(23)30)19-6-2-5-18(25)11-19/h1-6,10-11,15,20,28H,7-9,12-14H2,(H,26,29)/t15-,20-,23-/m1/s1
InChIKeyMVHFVNSQPVQNTE-ZFUCPZCZSA-N
XLogP3.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide 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

(5S,7R,9S)-2-(3-fluorophenyl)-9-[2-(3-fluorophenyl)-2-oxoethyl]-7-hydroxy-2-azaspiro[4.5]decan-1-one
CID 58237379
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
CID 58237246
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide
CID 58237136
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
methyl (5R,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 58237205

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide (CID 163789284) is 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide is O=C(NC[C@@H]1C[C@@H](O)C[C@@]2(CCN(c3cccc(F)c3)C2=O)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide?
The InChIKey is MVHFVNSQPVQNTE-ZFUCPZCZSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c24-17-4-1-3-16(10-17)21(29)26-14-15-9-20(28)13-23(12-15)7-8-27(22(23)30)19-6-2-5-18(25)11-19/h1-6,10-11,15,20,28H,7-9,12-14H2,(H,26,29)/t15-,20-,23-/m1/s1.
What are the key properties of 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide?
3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide has a molecular weight of 414.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide is sourced from PubChem (CID 163789284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).