3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide

C12H13F2N3O2 — CID 67608207

IUPAC3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(C2(CF)COCC(N)=N2)c1
InChIInChI=1S/C12H13F2N3O2/c13-5-12(6-19-4-10(15)17-12)8-3-7(11(16)18)1-2-9(8)14/h1-3H,4-6H2,(H2,15,17)(H2,16,18)
InChIKeyOWAFKULVWUKJRL-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.48
Rot. Bonds3

About 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide

3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide (PubChem CID 67608207) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide
PubChem CID67608207
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(C2(CF)COCC(N)=N2)c1
InChIInChI=1S/C12H13F2N3O2/c13-5-12(6-19-4-10(15)17-12)8-3-7(11(16)18)1-2-9(8)14/h1-3H,4-6H2,(H2,15,17)(H2,16,18)
InChIKeyOWAFKULVWUKJRL-UHFFFAOYSA-N
XLogP0.48
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
The IUPAC name of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide (CID 67608207) is 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(C2(CF)COCC(N)=N2)c1.
What is the InChIKey of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
The InChIKey is OWAFKULVWUKJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c13-5-12(6-19-4-10(15)17-12)8-3-7(11(16)18)1-2-9(8)14/h1-3H,4-6H2,(H2,15,17)(H2,16,18).
What are the key properties of 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide?
3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide has a molecular weight of 269.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 67608207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).