2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide

C22H15F3N2O2 — CID 58487308

IUPAC2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C22H15F3N2O2/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/h2-12H,1H3,(H,26,27,28)
InChIKeyVWBPVXXAKVFZTC-UHFFFAOYSA-N
MW396.37 g/mol
LogP6.07
Rot. Bonds3

About 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide

2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide (PubChem CID 58487308) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
PubChem CID58487308
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C22H15F3N2O2/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/h2-12H,1H3,(H,26,27,28)
InChIKeyVWBPVXXAKVFZTC-UHFFFAOYSA-N
XLogP6.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide (CID 58487308) is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1.
What is the InChIKey of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The InChIKey is VWBPVXXAKVFZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/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/h2-12H,1H3,(H,26,27,28).
What are the key properties of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide has a molecular weight of 396.37 g/mol, XLogP of 6.07, 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)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58487308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).