3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

C19H16F3NO2 — CID 35346075

IUPAC3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)oc2c1C
InChIInChI=1S/C19H16F3NO2/c1-10-8-9-13-12(3)17(25-16(13)11(10)2)18(24)23-15-7-5-4-6-14(15)19(20,21)22/h4-9H,1-3H3,(H,23,24)
InChIKeyNMWLXZPIBSQWJK-UHFFFAOYSA-N
MW347.34 g/mol
LogP5.63
Rot. Bonds2

About 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 35346075) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID35346075
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)oc2c1C
InChIInChI=1S/C19H16F3NO2/c1-10-8-9-13-12(3)17(25-16(13)11(10)2)18(24)23-15-7-5-4-6-14(15)19(20,21)22/h4-9H,1-3H3,(H,23,24)
InChIKeyNMWLXZPIBSQWJK-UHFFFAOYSA-N
XLogP5.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1343003
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984198
7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46543410
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 26394079
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (CID 35346075) is 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)oc2c1C.
What is the InChIKey of 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NMWLXZPIBSQWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-10-8-9-13-12(3)17(25-16(13)11(10)2)18(24)23-15-7-5-4-6-14(15)19(20,21)22/h4-9H,1-3H3,(H,23,24).
What are the key properties of 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35346075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).