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

C19H18F2N2O3 — CID 118399545

IUPACN-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESC[C@]1(c2ccccc2F)N=C(NC(=O)c2ccccc2)O[C@@H](CO)[C@@H]1F
InChIInChI=1S/C19H18F2N2O3/c1-19(13-9-5-6-10-14(13)20)16(21)15(11-24)26-18(23-19)22-17(25)12-7-3-2-4-8-12/h2-10,15-16,24H,11H2,1H3,(H,22,23,25)/t15-,16-,19+/m0/s1
InChIKeyFDWRFDULUPZYMS-TXPKVOOTSA-N
MW360.36 g/mol
LogP2.56
Rot. Bonds3

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

N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide (PubChem CID 118399545) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide
PubChem CID118399545
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC NameN-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESC[C@]1(c2ccccc2F)N=C(NC(=O)c2ccccc2)O[C@@H](CO)[C@@H]1F
InChIInChI=1S/C19H18F2N2O3/c1-19(13-9-5-6-10-14(13)20)16(21)15(11-24)26-18(23-19)22-17(25)12-7-3-2-4-8-12/h2-10,15-16,24H,11H2,1H3,(H,22,23,25)/t15-,16-,19+/m0/s1
InChIKeyFDWRFDULUPZYMS-TXPKVOOTSA-N
XLogP2.56
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The IUPAC name of N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide (CID 118399545) is N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide.
What is the SMILES notation for N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The canonical SMILES for N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide is C[C@]1(c2ccccc2F)N=C(NC(=O)c2ccccc2)O[C@@H](CO)[C@@H]1F.
What is the InChIKey of N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The InChIKey is FDWRFDULUPZYMS-TXPKVOOTSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-19(13-9-5-6-10-14(13)20)16(21)15(11-24)26-18(23-19)22-17(25)12-7-3-2-4-8-12/h2-10,15-16,24H,11H2,1H3,(H,22,23,25)/t15-,16-,19+/m0/s1.
What are the key properties of N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide has a molecular weight of 360.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide is sourced from PubChem (CID 118399545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).