2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide

C14H9F6NO3 — CID 54070063

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1=CC(=O)OC1
InChIInChI=1S/C14H9F6NO3/c15-13(16,17)8-1-7(2-9(4-8)14(18,19)20)3-11(22)21-10-5-12(23)24-6-10/h1-2,4-5H,3,6H2,(H,21,22)
InChIKeyMFUMQKOOOXSMQX-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.82
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide (PubChem CID 54070063) has the molecular formula C14H9F6NO3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide
PubChem CID54070063
Molecular FormulaC14H9F6NO3
Molecular Weight353.22 g/mol
Exact Mass353.05
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1=CC(=O)OC1
InChIInChI=1S/C14H9F6NO3/c15-13(16,17)8-1-7(2-9(4-8)14(18,19)20)3-11(22)21-10-5-12(23)24-6-10/h1-2,4-5H,3,6H2,(H,21,22)
InChIKeyMFUMQKOOOXSMQX-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide
CID 44578157
ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 102051906
N-[5-oxo-4-[3-(trifluoromethyl)phenyl]-2H-furan-3-yl]acetamide
CID 19764146
N-(5-oxo-2H-furan-3-yl)-3-(trifluoromethyl)benzamide
CID 53734113
N-(5-oxo-2H-furan-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 53979171
N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide
CID 54014002
N-(5-oxo-2H-furan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 54225318
2-(2-fluorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
CID 54246627
N-(5-oxo-2H-furan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 54307801
N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
CID 54348973
6-Hydroxy-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid methyl ester
CID 67025289
methyl 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylate
CID 129080055

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide (CID 54070063) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide is O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1=CC(=O)OC1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide?
The InChIKey is MFUMQKOOOXSMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO3/c15-13(16,17)8-1-7(2-9(4-8)14(18,19)20)3-11(22)21-10-5-12(23)24-6-10/h1-2,4-5H,3,6H2,(H,21,22).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide has a molecular weight of 353.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-oxo-2H-furan-3-yl)acetamide is sourced from PubChem (CID 54070063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).