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

C19H16F4N2O2 — CID 146162411

IUPACN-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESC[C@@]1(c2ccccc2F)C[C@H](C(F)(F)F)OC(NC(=O)c2ccccc2)=N1
InChIInChI=1S/C19H16F4N2O2/c1-18(13-9-5-6-10-14(13)20)11-15(19(21,22)23)27-17(25-18)24-16(26)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,24,25,26)/t15-,18+/m1/s1
InChIKeyVZSNLLOTGDXWKG-QAPCUYQASA-N
MW380.34 g/mol
LogP4.18
Rot. Bonds2

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

N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide (PubChem CID 146162411) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
PubChem CID146162411
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC NameN-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESC[C@@]1(c2ccccc2F)C[C@H](C(F)(F)F)OC(NC(=O)c2ccccc2)=N1
InChIInChI=1S/C19H16F4N2O2/c1-18(13-9-5-6-10-14(13)20)11-15(19(21,22)23)27-17(25-18)24-16(26)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,24,25,26)/t15-,18+/m1/s1
InChIKeyVZSNLLOTGDXWKG-QAPCUYQASA-N
XLogP4.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide with MolForge

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Related Compounds

US9611261, Example 425
CID 90411896
US9611261, Example 28
CID 138106824
N-[(4S,6S)-4-(fluoromethyl)-4-[2-fluoro-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
CID 90380067
US9611261, Example 426
CID 90401330
methyl N'-(3-phenylpropyl)-N-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 7237395
ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7283357
ethyl N'-benzyl-N-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 7416967
ethyl N'-(3-phenylpropyl)-N-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 8064594
ethyl N'-cyclohexyl-N-(4-fluorobenzoyl)carbamimidate
CID 8093463
propyl N-(2-fluorobenzoyl)-N'-(1-phenylethyl)carbamimidate
CID 45946307
2-methylpropyl N-(3-fluorobenzoyl)-N'-(1-phenylethyl)carbamimidate
CID 45946331
methyl N'-(1-phenylethyl)-N-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 45946336

Frequently Asked Questions

What is the IUPAC name of N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The IUPAC name of N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide (CID 146162411) is N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide.
What is the SMILES notation for N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The canonical SMILES for N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide is C[C@@]1(c2ccccc2F)C[C@H](C(F)(F)F)OC(NC(=O)c2ccccc2)=N1.
What is the InChIKey of N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The InChIKey is VZSNLLOTGDXWKG-QAPCUYQASA-N. The full InChI is InChI=1S/C19H16F4N2O2/c1-18(13-9-5-6-10-14(13)20)11-15(19(21,22)23)27-17(25-18)24-16(26)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,24,25,26)/t15-,18+/m1/s1.
What are the key properties of N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide has a molecular weight of 380.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,6R)-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide is sourced from PubChem (CID 146162411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).