N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide

C16H10F3NO3 — CID 599450

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)11-4-1-9(2-5-11)14(21)20-12-6-3-10-8-23-15(22)13(10)7-12/h1-7H,8H2,(H,20,21)
InChIKeyMBFPJEVYHYKFKZ-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.63
Rot. Bonds2

About N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide

N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 599450) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID599450
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)11-4-1-9(2-5-11)14(21)20-12-6-3-10-8-23-15(22)13(10)7-12/h1-7H,8H2,(H,20,21)
InChIKeyMBFPJEVYHYKFKZ-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide (CID 599450) is N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is MBFPJEVYHYKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)11-4-1-9(2-5-11)14(21)20-12-6-3-10-8-23-15(22)13(10)7-12/h1-7H,8H2,(H,20,21).
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide?
N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 321.25 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 599450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).