N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide

C16H12F3N3O — CID 140977001

IUPACN-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide
SMILESO=C(NN1CC=Nc2cc(C(F)(F)F)ccc21)c1ccccc1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-6-7-14-13(10-12)20-8-9-22(14)21-15(23)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,23)
InChIKeyFBQQVRNRUKDCFC-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.57
Rot. Bonds2

About N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide

N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide (PubChem CID 140977001) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide
PubChem CID140977001
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide
SMILESO=C(NN1CC=Nc2cc(C(F)(F)F)ccc21)c1ccccc1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-6-7-14-13(10-12)20-8-9-22(14)21-15(23)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,23)
InChIKeyFBQQVRNRUKDCFC-UHFFFAOYSA-N
XLogP3.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
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1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
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N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90567503
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-(4-methylpiperazin-4-ium-1-yl)-3-(trifluoromethyl)benzamide
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(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide?
The IUPAC name of N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide (CID 140977001) is N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide?
The canonical SMILES for N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide is O=C(NN1CC=Nc2cc(C(F)(F)F)ccc21)c1ccccc1.
What is the InChIKey of N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide?
The InChIKey is FBQQVRNRUKDCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)12-6-7-14-13(10-12)20-8-9-22(14)21-15(23)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,23).
What are the key properties of N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide?
N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide has a molecular weight of 319.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-2H-quinoxalin-1-yl]benzamide is sourced from PubChem (CID 140977001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).