N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide

C21H19F3N2O3 — CID 70292387

IUPACN-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(=O)Nc2cc(F)ccc2F)CO1
InChIInChI=1S/C21H19F3N2O3/c1-12-18(14-6-4-5-7-15(14)23)19(27)26(11-29-12)21(2,3)20(28)25-17-10-13(22)8-9-16(17)24/h4-10H,11H2,1-3H3,(H,25,28)
InChIKeyOIODXPYIJGJYCK-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.07
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide

N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide (PubChem CID 70292387) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide
PubChem CID70292387
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(=O)Nc2cc(F)ccc2F)CO1
InChIInChI=1S/C21H19F3N2O3/c1-12-18(14-6-4-5-7-15(14)23)19(27)26(11-29-12)21(2,3)20(28)25-17-10-13(22)8-9-16(17)24/h4-10H,11H2,1-3H3,(H,25,28)
InChIKeyOIODXPYIJGJYCK-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-2-[6-methyl-5-(5-methylthiophen-2-yl)-4-oxo-2H-1,3-oxazin-3-yl]propanamide
CID 57098165
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 167933912
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596801
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide
CID 130346348
(2R)-N-(2,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2711432
N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide (CID 70292387) is N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(=O)Nc2cc(F)ccc2F)CO1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The InChIKey is OIODXPYIJGJYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-12-18(14-6-4-5-7-15(14)23)19(27)26(11-29-12)21(2,3)20(28)25-17-10-13(22)8-9-16(17)24/h4-10H,11H2,1-3H3,(H,25,28).
What are the key properties of N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide has a molecular weight of 404.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 70292387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).