4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

C25H18F4N2O3 — CID 55699425

IUPAC4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(NC(=O)c4ccc(F)cc4)cc3C(F)(F)F)coc2c1
InChIInChI=1S/C25H18F4N2O3/c1-14-2-8-19-16(13-34-22(19)10-14)11-23(32)31-21-9-7-18(12-20(21)25(27,28)29)30-24(33)15-3-5-17(26)6-4-15/h2-10,12-13H,11H2,1H3,(H,30,33)(H,31,32)
InChIKeyUNBYMDBDUQEKLU-UHFFFAOYSA-N
MW470.42 g/mol
LogP6.33
Rot. Bonds5

About 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 55699425) has the molecular formula C25H18F4N2O3 and a molecular weight of 470.42 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID55699425
Molecular FormulaC25H18F4N2O3
Molecular Weight470.42 g/mol
Exact Mass470.13
IUPAC Name4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(NC(=O)c4ccc(F)cc4)cc3C(F)(F)F)coc2c1
InChIInChI=1S/C25H18F4N2O3/c1-14-2-8-19-16(13-34-22(19)10-14)11-23(32)31-21-9-7-18(12-20(21)25(27,28)29)30-24(33)15-3-5-17(26)6-4-15/h2-10,12-13H,11H2,1H3,(H,30,33)(H,31,32)
InChIKeyUNBYMDBDUQEKLU-UHFFFAOYSA-N
XLogP6.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 52638951
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 16605098
4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 55777625
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 55764258
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010405
N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782396
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78885374
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-[3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678884

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide (CID 55699425) is 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc2c(CC(=O)Nc3ccc(NC(=O)c4ccc(F)cc4)cc3C(F)(F)F)coc2c1.
What is the InChIKey of 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UNBYMDBDUQEKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O3/c1-14-2-8-19-16(13-34-22(19)10-14)11-23(32)31-21-9-7-18(12-20(21)25(27,28)29)30-24(33)15-3-5-17(26)6-4-15/h2-10,12-13H,11H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 470.42 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55699425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).