N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

C11H12ClF2N3O2 — CID 166315197

IUPACN-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
SMILESCN(CC(F)(F)Cl)C(=O)N1CCOc2ccncc21
InChIInChI=1S/C11H12ClF2N3O2/c1-16(7-11(12,13)14)10(18)17-4-5-19-9-2-3-15-6-8(9)17/h2-3,6H,4-5,7H2,1H3
InChIKeyJSRXOQLQJZDGBX-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.16
Rot. Bonds2

About N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (PubChem CID 166315197) has the molecular formula C11H12ClF2N3O2 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
PubChem CID166315197
Molecular FormulaC11H12ClF2N3O2
Molecular Weight291.69 g/mol
Exact Mass291.06
IUPAC NameN-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
SMILESCN(CC(F)(F)Cl)C(=O)N1CCOc2ccncc21
InChIInChI=1S/C11H12ClF2N3O2/c1-16(7-11(12,13)14)10(18)17-4-5-19-9-2-3-15-6-8(9)17/h2-3,6H,4-5,7H2,1H3
InChIKeyJSRXOQLQJZDGBX-UHFFFAOYSA-N
XLogP2.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 167779163
1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 91652693
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
CID 167926677
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 44610282
2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 166227093
1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 175995822
(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone;sulfuric acid
CID 44608872
N-[(2S)-3-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-methoxyphenyl)-3-oxopropyl]methanesulfonamide
CID 154704671
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 66936639
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 126771622
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 136512937
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone
CID 154785791

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (CID 166315197) is N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is CN(CC(F)(F)Cl)C(=O)N1CCOc2ccncc21.
What is the InChIKey of N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
The InChIKey is JSRXOQLQJZDGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O2/c1-16(7-11(12,13)14)10(18)17-4-5-19-9-2-3-15-6-8(9)17/h2-3,6H,4-5,7H2,1H3.
What are the key properties of N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?
N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 166315197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).