N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide

C19H15F5N2O2 — CID 86732241

IUPACN-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESC[C@@]1(c2cccc(F)c2F)C[C@@H](C(F)(F)F)OC(NC(=O)c2ccccc2)=N1
InChIInChI=1S/C19H15F5N2O2/c1-18(12-8-5-9-13(20)15(12)21)10-14(19(22,23)24)28-17(26-18)25-16(27)11-6-3-2-4-7-11/h2-9,14H,10H2,1H3,(H,25,26,27)/t14-,18-/m0/s1
InChIKeyRGOXUNNBDQZVDA-KSSFIOAISA-N
MW398.33 g/mol
LogP4.32
Rot. Bonds2

About N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide

N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide (PubChem CID 86732241) has the molecular formula C19H15F5N2O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
PubChem CID86732241
Molecular FormulaC19H15F5N2O2
Molecular Weight398.33 g/mol
Exact Mass398.11
IUPAC NameN-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESC[C@@]1(c2cccc(F)c2F)C[C@@H](C(F)(F)F)OC(NC(=O)c2ccccc2)=N1
InChIInChI=1S/C19H15F5N2O2/c1-18(12-8-5-9-13(20)15(12)21)10-14(19(22,23)24)28-17(26-18)25-16(27)11-6-3-2-4-7-11/h2-9,14H,10H2,1H3,(H,25,26,27)/t14-,18-/m0/s1
InChIKeyRGOXUNNBDQZVDA-KSSFIOAISA-N
XLogP4.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The IUPAC name of N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide (CID 86732241) is N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide.
What is the SMILES notation for N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The canonical SMILES for N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide is C[C@@]1(c2cccc(F)c2F)C[C@@H](C(F)(F)F)OC(NC(=O)c2ccccc2)=N1.
What is the InChIKey of N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The InChIKey is RGOXUNNBDQZVDA-KSSFIOAISA-N. The full InChI is InChI=1S/C19H15F5N2O2/c1-18(12-8-5-9-13(20)15(12)21)10-14(19(22,23)24)28-17(26-18)25-16(27)11-6-3-2-4-7-11/h2-9,14H,10H2,1H3,(H,25,26,27)/t14-,18-/m0/s1.
What are the key properties of N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide has a molecular weight of 398.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide is sourced from PubChem (CID 86732241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).