N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide

C23H25F2N3O2 — CID 92550673

IUPACN-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)cc1
InChIInChI=1S/C23H25F2N3O2/c1-15(29)26-18-7-5-17(6-8-18)19-13-28(12-16-4-9-20(24)21(25)11-16)14-23(19)10-2-3-22(30)27-23/h4-9,11,19H,2-3,10,12-14H2,1H3,(H,26,29)(H,27,30)/t19-,23+/m0/s1
InChIKeyRFGLBYRUKWXMAR-WMZHIEFXSA-N
MW413.47 g/mol
LogP3.56
Rot. Bonds4

About N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide

N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide (PubChem CID 92550673) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
PubChem CID92550673
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC NameN-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)cc1
InChIInChI=1S/C23H25F2N3O2/c1-15(29)26-18-7-5-17(6-8-18)19-13-28(12-16-4-9-20(24)21(25)11-16)14-23(19)10-2-3-22(30)27-23/h4-9,11,19H,2-3,10,12-14H2,1H3,(H,26,29)(H,27,30)/t19-,23+/m0/s1
InChIKeyRFGLBYRUKWXMAR-WMZHIEFXSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide (CID 92550673) is N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)cc1.
What is the InChIKey of N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The InChIKey is RFGLBYRUKWXMAR-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-15(29)26-18-7-5-17(6-8-18)19-13-28(12-16-4-9-20(24)21(25)11-16)14-23(19)10-2-3-22(30)27-23/h4-9,11,19H,2-3,10,12-14H2,1H3,(H,26,29)(H,27,30)/t19-,23+/m0/s1.
What are the key properties of N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R,5S)-2-[(3,4-difluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide is sourced from PubChem (CID 92550673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).