2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide

C22H19F3N2O2 — CID 58487368

IUPAC2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3c2CCCC3)cn1
InChIInChI=1S/C22H19F3N2O2/c1-13-6-2-3-7-15(13)21(28)27-18-11-10-14(12-26-18)19-16-8-4-5-9-17(16)29-20(19)22(23,24)25/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,26,27,28)
InChIKeyXCOWGMWEZBJSSJ-UHFFFAOYSA-N
MW400.40 g/mol
LogP5.80
Rot. Bonds3

About 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide

2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide (PubChem CID 58487368) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide
PubChem CID58487368
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3c2CCCC3)cn1
InChIInChI=1S/C22H19F3N2O2/c1-13-6-2-3-7-15(13)21(28)27-18-11-10-14(12-26-18)19-16-8-4-5-9-17(16)29-20(19)22(23,24)25/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,26,27,28)
InChIKeyXCOWGMWEZBJSSJ-UHFFFAOYSA-N
XLogP5.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.40
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]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 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide (CID 58487368) is 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3c2CCCC3)cn1.
What is the InChIKey of 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The InChIKey is XCOWGMWEZBJSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c1-13-6-2-3-7-15(13)21(28)27-18-11-10-14(12-26-18)19-16-8-4-5-9-17(16)29-20(19)22(23,24)25/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,26,27,28).
What are the key properties of 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58487368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).