bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide

C85H49F17N8O8 — CID 123191675

IUPACbis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C22H15F3N2O2.2C21H11F5N2O2.C21H12F4N2O2/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;2*22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25/h2-12H,1H3,(H,26,27,28);2*1-10H,(H,27,28,29);1-11H,(H,26,27,28)
InChIKeyUDPGMZFWUKCMDO-UHFFFAOYSA-N
MW1633.34 g/mol
LogP24.07
Rot. Bonds12

About bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide

bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-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 123191675) has the molecular formula C85H49F17N8O8 and a molecular weight of 1633.34 g/mol. Its IUPAC name is bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Namebis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-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 CID123191675
Molecular FormulaC85H49F17N8O8
Molecular Weight1633.34 g/mol
Exact Mass1632.34
IUPAC Namebis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C22H15F3N2O2.2C21H11F5N2O2.C21H12F4N2O2/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;2*22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25/h2-12H,1H3,(H,26,27,28);2*1-10H,(H,27,28,29);1-11H,(H,26,27,28)
InChIKeyUDPGMZFWUKCMDO-UHFFFAOYSA-N
XLogP24.07
TPSA220.52 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.34
LogP ≤ 524.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-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

Related Compounds

2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
CID 58486827
2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]pyridin-2-yl]benzamide
CID 58487043
2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyridin-2-yl]benzamide
CID 58487092
2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyridin-2-yl]propanamide
CID 58487226
2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyridin-2-yl]benzamide
CID 58487236
2,6-difluoro-N-(5-(2-methylbenzofuran-3-yl)pyridin-2-yl)benzamide
CID 58487275
2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyridin-2-yl]benzamide
CID 58487308
2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]pyridin-2-yl]benzamide
CID 58487368
N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyridin-2-amine
CID 71105427
(E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(2,6-difluoropyridin-3-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 117780980
(E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(6-fluoro-4-methylpyridin-3-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 117781226
3,5-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]pyridin-2-yl]pyridine-4-carboxamide
CID 117956725

Frequently Asked Questions

What is the IUPAC name of bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide (CID 123191675) is bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F.
What is the InChIKey of bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The InChIKey is UDPGMZFWUKCMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2.2C21H11F5N2O2.C21H12F4N2O2/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;2*22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25/h2-12H,1H3,(H,26,27,28);2*1-10H,(H,27,28,29);1-11H,(H,26,27,28).
What are the key properties of bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-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 1633.34 g/mol, XLogP of 24.07, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 123191675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).