2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide

C26H23F3N2O3 — CID 53473234

IUPAC2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide
SMILESC[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CC(N)=O)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C26H23F3N2O3/c1-16(17-2-4-18(5-3-17)22-11-10-21(28)14-23(22)29)31-13-12-26(15-24(30)32,34-25(31)33)19-6-8-20(27)9-7-19/h2-11,14,16H,12-13,15H2,1H3,(H2,30,32)/t16-,26-/m0/s1
InChIKeyFVYWUKYMYNOWNN-QMTYFTJSSA-N
MW468.48 g/mol
LogP5.45
Rot. Bonds6

About 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide

2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide (PubChem CID 53473234) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide.

Molecular Properties

Compound Name2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide
PubChem CID53473234
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC Name2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide
SMILESC[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CC(N)=O)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C26H23F3N2O3/c1-16(17-2-4-18(5-3-17)22-11-10-21(28)14-23(22)29)31-13-12-26(15-24(30)32,34-25(31)33)19-6-8-20(27)9-7-19/h2-11,14,16H,12-13,15H2,1H3,(H2,30,32)/t16-,26-/m0/s1
InChIKeyFVYWUKYMYNOWNN-QMTYFTJSSA-N
XLogP5.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide 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 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide?
The IUPAC name of 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide (CID 53473234) is 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide.
What is the SMILES notation for 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide?
The canonical SMILES for 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide is C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CC(N)=O)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide?
The InChIKey is FVYWUKYMYNOWNN-QMTYFTJSSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c1-16(17-2-4-18(5-3-17)22-11-10-21(28)14-23(22)29)31-13-12-26(15-24(30)32,34-25(31)33)19-6-8-20(27)9-7-19/h2-11,14,16H,12-13,15H2,1H3,(H2,30,32)/t16-,26-/m0/s1.
What are the key properties of 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide?
2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide has a molecular weight of 468.48 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]acetamide is sourced from PubChem (CID 53473234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).