5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

C19H14F3NO4 — CID 134214596

IUPAC5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CC=O)c2c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO4/c1-10-16(17-13(8-9-24)14(25)6-7-15(17)27-10)18(26)23-12-4-2-11(3-5-12)19(20,21)22/h2-7,9,25H,8H2,1H3,(H,23,26)
InChIKeyGSSPMUOSUGREHL-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.46
Rot. Bonds4

About 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 134214596) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID134214596
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CC=O)c2c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO4/c1-10-16(17-13(8-9-24)14(25)6-7-15(17)27-10)18(26)23-12-4-2-11(3-5-12)19(20,21)22/h2-7,9,25H,8H2,1H3,(H,23,26)
InChIKeyGSSPMUOSUGREHL-UHFFFAOYSA-N
XLogP4.46
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide 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

5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
CID 18593786
5-hydroxy-2-methyl-N-(4-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540213
5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 7539994
2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 110860959
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 163370448
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54710314

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide (CID 134214596) is 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide is Cc1oc2ccc(O)c(CC=O)c2c1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is GSSPMUOSUGREHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-10-16(17-13(8-9-24)14(25)6-7-15(17)27-10)18(26)23-12-4-2-11(3-5-12)19(20,21)22/h2-7,9,25H,8H2,1H3,(H,23,26).
What are the key properties of 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide?
5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4-(2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 134214596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).