N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide

C15H14F3NO2 — CID 51187726

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H14F3NO2/c1-9-7-8-13(21-9)10(2)19-14(20)11-5-3-4-6-12(11)15(16,17)18/h3-8,10H,1-2H3,(H,19,20)
InChIKeyVZRLLXAZACWVKY-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.10
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 51187726) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID51187726
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H14F3NO2/c1-9-7-8-13(21-9)10(2)19-14(20)11-5-3-4-6-12(11)15(16,17)18/h3-8,10H,1-2H3,(H,19,20)
InChIKeyVZRLLXAZACWVKY-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187767
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 47220104
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 51187726) is N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide is Cc1ccc(C(C)NC(=O)c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VZRLLXAZACWVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-9-7-8-13(21-9)10(2)19-14(20)11-5-3-4-6-12(11)15(16,17)18/h3-8,10H,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 297.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 51187726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).