4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide

C23H25F2N3O2 — CID 50902623

IUPAC4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyBPCQYJWHRHUHQC-FQEVSTJZSA-N
MW413.47 g/mol
LogP2.69
Rot. Bonds5

About 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide

4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide (PubChem CID 50902623) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide
PubChem CID50902623
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyBPCQYJWHRHUHQC-FQEVSTJZSA-N
XLogP2.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]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

N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
AR-M1000390
CID 9841259
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N,N'-1,2-Ethanediylbisbenzamide
CID 69518
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
3-[(1R,5S)-8-[2-(cyclohexylmethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 121432154
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 489814

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide (CID 50902623) is 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide is O=C(NCCN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide?
The InChIKey is BPCQYJWHRHUHQC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)/t20-/m0/s1.
What are the key properties of 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide?
4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide has a molecular weight of 413.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide is sourced from PubChem (CID 50902623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).