3-(furan-2-yl)-5-(trifluoromethyl)benzamide

C12H8F3NO2 — CID 168527470

IUPAC3-(furan-2-yl)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(-c2ccco2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)9-5-7(10-2-1-3-18-10)4-8(6-9)11(16)17/h1-6H,(H2,16,17)
InChIKeyJTBIOOYCJWKJKQ-UHFFFAOYSA-N
MW255.20 g/mol
LogP3.06
Rot. Bonds2

About 3-(furan-2-yl)-5-(trifluoromethyl)benzamide

3-(furan-2-yl)-5-(trifluoromethyl)benzamide (PubChem CID 168527470) has the molecular formula C12H8F3NO2 and a molecular weight of 255.20 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(trifluoromethyl)benzamide
PubChem CID168527470
Molecular FormulaC12H8F3NO2
Molecular Weight255.20 g/mol
Exact Mass255.05
IUPAC Name3-(furan-2-yl)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(-c2ccco2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)9-5-7(10-2-1-3-18-10)4-8(6-9)11(16)17/h1-6H,(H2,16,17)
InChIKeyJTBIOOYCJWKJKQ-UHFFFAOYSA-N
XLogP3.06
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan
CID 168528467
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan
CID 168528181
5-(furan-2-yl)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 168527471
1-[2-(furan-2-yl)-4,6-bis(trifluoromethyl)phenyl]ethanone
CID 168528391
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
CID 90729865
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
3-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid
CID 130288780
3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 168526489
3-(furan-2-yl)benzoate
CID 7023055

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(furan-2-yl)-5-(trifluoromethyl)benzamide (CID 168527470) is 3-(furan-2-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(furan-2-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(furan-2-yl)-5-(trifluoromethyl)benzamide is NC(=O)c1cc(-c2ccco2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(furan-2-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is JTBIOOYCJWKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)9-5-7(10-2-1-3-18-10)4-8(6-9)11(16)17/h1-6H,(H2,16,17).
What are the key properties of 3-(furan-2-yl)-5-(trifluoromethyl)benzamide?
3-(furan-2-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 255.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 168527470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).