N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide

C15H14F3NO2 — CID 90536100

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2ccccc2C(F)(F)F)c(C)o1
InChIInChI=1S/C15H14F3NO2/c1-9-7-11(10(2)21-9)8-19-14(20)12-5-3-4-6-13(12)15(16,17)18/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyBUQFUQKESQLNAB-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.85
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 90536100) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID90536100
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2ccccc2C(F)(F)F)c(C)o1
InChIInChI=1S/C15H14F3NO2/c1-9-7-11(10(2)21-9)8-19-14(20)12-5-3-4-6-13(12)15(16,17)18/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyBUQFUQKESQLNAB-UHFFFAOYSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
CID 90536053
N-[(2,5-dimethylfuran-3-yl)methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86950315
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 86950363
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
tert-butyl N-[2-oxo-2-[2-[[[2-(trifluoromethyl)benzoyl]amino]methyl]anilino]ethyl]carbamate
CID 108918057
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60738967

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide (CID 90536100) is N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide is Cc1cc(CNC(=O)c2ccccc2C(F)(F)F)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BUQFUQKESQLNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-9-7-11(10(2)21-9)8-19-14(20)12-5-3-4-6-13(12)15(16,17)18/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 297.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 90536100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).