3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide

C23H26F2N4O2 — CID 44591892

IUPAC3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-7-8-19(24)20(25)13-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
InChIKeyJMFQTTHZMGEEHM-INIZCTEOSA-N
MW428.48 g/mol
LogP2.51
Rot. Bonds5

About 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide

3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide (PubChem CID 44591892) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide
PubChem CID44591892
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-7-8-19(24)20(25)13-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
InChIKeyJMFQTTHZMGEEHM-INIZCTEOSA-N
XLogP2.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide (CID 44591892) is 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide is C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide?
The InChIKey is JMFQTTHZMGEEHM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-7-8-19(24)20(25)13-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide?
3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide has a molecular weight of 428.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2S)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]benzamide is sourced from PubChem (CID 44591892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).