N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide

C18H17F2N3O2 — CID 50991952

IUPACN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide
SMILESCC1(c2cccc(NC(=O)c3cc(F)ccc3F)c2)COCC(N)=N1
InChIInChI=1S/C18H17F2N3O2/c1-18(10-25-9-16(21)23-18)11-3-2-4-13(7-11)22-17(24)14-8-12(19)5-6-15(14)20/h2-8H,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyCZNRKASQNPTDMI-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.82
Rot. Bonds3

About N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide

N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide (PubChem CID 50991952) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide
PubChem CID50991952
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide
SMILESCC1(c2cccc(NC(=O)c3cc(F)ccc3F)c2)COCC(N)=N1
InChIInChI=1S/C18H17F2N3O2/c1-18(10-25-9-16(21)23-18)11-3-2-4-13(7-11)22-17(24)14-8-12(19)5-6-15(14)20/h2-8H,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyCZNRKASQNPTDMI-UHFFFAOYSA-N
XLogP2.82
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 50913947
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4-bromobenzamide
CID 50914104
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56645305
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 50913367
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide
CID 91668579
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide
CID 58118860
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
CID 58118867
N-[(4aS,7aS)-7a-(5-acetamido-2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 134953785
N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide
CID 50991029
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 50991030
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-3-chlorocyclobutane-1-carboxamide
CID 50991031
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-3,3-difluorocyclobutane-1-carboxamide
CID 50991032

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide (CID 50991952) is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide is CC1(c2cccc(NC(=O)c3cc(F)ccc3F)c2)COCC(N)=N1.
What is the InChIKey of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide?
The InChIKey is CZNRKASQNPTDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-18(10-25-9-16(21)23-18)11-3-2-4-13(7-11)22-17(24)14-8-12(19)5-6-15(14)20/h2-8H,9-10H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide?
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide has a molecular weight of 345.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-2,5-difluorobenzamide is sourced from PubChem (CID 50991952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).