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

C23H26FN3O2 — CID 92550680

IUPACN-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@]23CCCC(=O)N3)cc1
InChIInChI=1S/C23H26FN3O2/c1-16(28)25-19-10-8-17(9-11-19)20-14-27(13-18-5-2-3-6-21(18)24)15-23(20)12-4-7-22(29)26-23/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3,(H,25,28)(H,26,29)/t20-,23+/m0/s1
InChIKeyVCYJKPNCIHSSSX-NZQKXSOJSA-N
MW395.48 g/mol
LogP3.42
Rot. Bonds4

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

N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide (PubChem CID 92550680) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
PubChem CID92550680
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@]23CCCC(=O)N3)cc1
InChIInChI=1S/C23H26FN3O2/c1-16(28)25-19-10-8-17(9-11-19)20-14-27(13-18-5-2-3-6-21(18)24)15-23(20)12-4-7-22(29)26-23/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3,(H,25,28)(H,26,29)/t20-,23+/m0/s1
InChIKeyVCYJKPNCIHSSSX-NZQKXSOJSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.42
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-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide (CID 92550680) is N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@]23CCCC(=O)N3)cc1.
What is the InChIKey of N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
The InChIKey is VCYJKPNCIHSSSX-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16(28)25-19-10-8-17(9-11-19)20-14-27(13-18-5-2-3-6-21(18)24)15-23(20)12-4-7-22(29)26-23/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3,(H,25,28)(H,26,29)/t20-,23+/m0/s1.
What are the key properties of N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide?
N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.42, 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-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide is sourced from PubChem (CID 92550680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).