N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

C26H20F3NO2 — CID 59193792

IUPACN-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C26H20F3NO2/c27-26(28,29)19-7-1-4-16(12-19)13-21-15-23-22(8-3-9-24(23)32-21)17-5-2-6-18(14-17)25(31)30-20-10-11-20/h1-9,12,14-15,20H,10-11,13H2,(H,30,31)
InChIKeySLILFKRPRMBUGQ-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.60
Rot. Bonds5

About N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (PubChem CID 59193792) has the molecular formula C26H20F3NO2 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
PubChem CID59193792
Molecular FormulaC26H20F3NO2
Molecular Weight435.45 g/mol
Exact Mass435.14
IUPAC NameN-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C26H20F3NO2/c27-26(28,29)19-7-1-4-16(12-19)13-21-15-23-22(8-3-9-24(23)32-21)17-5-2-6-18(14-17)25(31)30-20-10-11-20/h1-9,12,14-15,20H,10-11,13H2,(H,30,31)
InChIKeySLILFKRPRMBUGQ-UHFFFAOYSA-N
XLogP6.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (CID 59193792) is N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is O=C(NC1CC1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The InChIKey is SLILFKRPRMBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO2/c27-26(28,29)19-7-1-4-16(12-19)13-21-15-23-22(8-3-9-24(23)32-21)17-5-2-6-18(14-17)25(31)30-20-10-11-20/h1-9,12,14-15,20H,10-11,13H2,(H,30,31).
What are the key properties of N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide has a molecular weight of 435.45 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is sourced from PubChem (CID 59193792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).