N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C18H15F3N2O2 — CID 11855182

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESO=C(Nc1ccc2c(c1)NCCO2)c1ccc(/C=C/C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)8-7-12-1-3-13(4-2-12)17(24)23-14-5-6-16-15(11-14)22-9-10-25-16/h1-8,11,22H,9-10H2,(H,23,24)/b8-7+
InChIKeyGPSNPQFZNUQWBU-BQYQJAHWSA-N
MW348.32 g/mol
LogP4.32
Rot. Bonds3

About N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 11855182) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID11855182
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESO=C(Nc1ccc2c(c1)NCCO2)c1ccc(/C=C/C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)8-7-12-1-3-13(4-2-12)17(24)23-14-5-6-16-15(11-14)22-9-10-25-16/h1-8,11,22H,9-10H2,(H,23,24)/b8-7+
InChIKeyGPSNPQFZNUQWBU-BQYQJAHWSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide with MolForge

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Related Compounds

2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68704554
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811399
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
CID 91510841
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811281
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110793054
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)ethanone
CID 82261181
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-[(3S)-3-ethyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59138753
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260676
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 11855182) is N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is O=C(Nc1ccc2c(c1)NCCO2)c1ccc(/C=C/C(F)(F)F)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is GPSNPQFZNUQWBU-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-18(20,21)8-7-12-1-3-13(4-2-12)17(24)23-14-5-6-16-15(11-14)22-9-10-25-16/h1-8,11,22H,9-10H2,(H,23,24)/b8-7+.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 348.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 11855182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).