3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H19F3N2O3 — CID 55486107

IUPAC3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Cc1ccc2c(c1)CCO2)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H19F3N2O3/c25-24(26,27)18-4-2-6-20(14-18)29-23(31)17-3-1-5-19(13-17)28-22(30)12-15-7-8-21-16(11-15)9-10-32-21/h1-8,11,13-14H,9-10,12H2,(H,28,30)(H,29,31)
InChIKeyFANJCKOOVHMXIC-UHFFFAOYSA-N
MW440.42 g/mol
LogP5.07
Rot. Bonds5

About 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 55486107) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID55486107
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Cc1ccc2c(c1)CCO2)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H19F3N2O3/c25-24(26,27)18-4-2-6-20(14-18)29-23(31)17-3-1-5-19(13-17)28-22(30)12-15-7-8-21-16(11-15)9-10-32-21/h1-8,11,13-14H,9-10,12H2,(H,28,30)(H,29,31)
InChIKeyFANJCKOOVHMXIC-UHFFFAOYSA-N
XLogP5.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
CID 51337859
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8654966
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 51310380
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 37212825
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110768501

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 55486107) is 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Cc1ccc2c(c1)CCO2)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FANJCKOOVHMXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c25-24(26,27)18-4-2-6-20(14-18)29-23(31)17-3-1-5-19(13-17)28-22(30)12-15-7-8-21-16(11-15)9-10-32-21/h1-8,11,13-14H,9-10,12H2,(H,28,30)(H,29,31).
What are the key properties of 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 440.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55486107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).