N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide

C12H8F3NO3 — CID 54348973

IUPACN-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)8-3-1-7(2-4-8)11(18)16-9-5-10(17)19-6-9/h1-5H,6H2,(H,16,18)
InChIKeyUEINQUGQANTNJH-UHFFFAOYSA-N
MW271.19 g/mol
LogP1.88
Rot. Bonds2

About N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide

N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 54348973) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID54348973
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC NameN-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)8-3-1-7(2-4-8)11(18)16-9-5-10(17)19-6-9/h1-5H,6H2,(H,16,18)
InChIKeyUEINQUGQANTNJH-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propenoic acid, 2-benzoylamino-3-phenyl-, ethyl ester
CID 5369686
Ethyl 3-methyl-2-(phenylformamido)but-2-enoate
CID 9550229
Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate
CID 5333136
Ethyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5338179
2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester
CID 657545
ethyl 3-benzamido-2-oxo-6-(trifluoromethyl)-2H-pyran-5-carboxylate
CID 1475736
ethyl 3-[(4-methylbenzoyl)amino]-2-oxo-6-(trifluoromethyl)-2H-pyran-5-carboxylate
CID 1483062
2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid butyl ester
CID 1722392
Butyl 2-(benzoylamino)-3-methyl-2-butenoate
CID 2282450
2-Propyn-1-yl 2-(benzoylamino)-3-methyl-2-butenoate
CID 2282509
methyl 6-methyl-2-oxo-3-{[3-(trifluoromethyl)benzoyl]amino}-2H-pyran-5-carboxylate
CID 1475732
Methyl 6-methyl-3-(4-methylbenzamido)-2-oxo-2H-pyran-5-carboxylate
CID 2764230

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide (CID 54348973) is N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide is O=C1C=C(NC(=O)c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is UEINQUGQANTNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c13-12(14,15)8-3-1-7(2-4-8)11(18)16-9-5-10(17)19-6-9/h1-5H,6H2,(H,16,18).
What are the key properties of N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 271.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 54348973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).