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

C28H27F3N2O3 — CID 53473395

IUPAC3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide
SMILESCNC(=O)CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1
InChIInChI=1S/C28H27F3N2O3/c1-18(19-3-5-20(6-4-19)24-12-11-23(30)17-25(24)31)33-16-15-28(36-27(33)35,14-13-26(34)32-2)21-7-9-22(29)10-8-21/h3-12,17-18H,13-16H2,1-2H3,(H,32,34)/t18-,28+/m0/s1
InChIKeyNFVVTQZIFUGHIN-XDBZFTIUSA-N
MW496.53 g/mol
LogP6.10
Rot. Bonds7

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

3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide (PubChem CID 53473395) has the molecular formula C28H27F3N2O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide
PubChem CID53473395
Molecular FormulaC28H27F3N2O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC Name3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide
SMILESCNC(=O)CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1
InChIInChI=1S/C28H27F3N2O3/c1-18(19-3-5-20(6-4-19)24-12-11-23(30)17-25(24)31)33-16-15-28(36-27(33)35,14-13-26(34)32-2)21-7-9-22(29)10-8-21/h3-12,17-18H,13-16H2,1-2H3,(H,32,34)/t18-,28+/m0/s1
InChIKeyNFVVTQZIFUGHIN-XDBZFTIUSA-N
XLogP6.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide 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-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide?
The IUPAC name of 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide (CID 53473395) is 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide?
The canonical SMILES for 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide is CNC(=O)CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1.
What is the InChIKey of 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide?
The InChIKey is NFVVTQZIFUGHIN-XDBZFTIUSA-N. The full InChI is InChI=1S/C28H27F3N2O3/c1-18(19-3-5-20(6-4-19)24-12-11-23(30)17-25(24)31)33-16-15-28(36-27(33)35,14-13-26(34)32-2)21-7-9-22(29)10-8-21/h3-12,17-18H,13-16H2,1-2H3,(H,32,34)/t18-,28+/m0/s1.
What are the key properties of 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide?
3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide has a molecular weight of 496.53 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-N-methylpropanamide is sourced from PubChem (CID 53473395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).