2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

C83H55Cl2F10N9O8 — CID 160835978

IUPAC2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2.Cc1cc2oc(F)cc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2oc(F)cc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C21H14ClFN2O2.C21H14F4N2O2.C21H13F3N2O2.C20H14ClF2N3O2/c1-12-8-18-14(10-19(23)27-18)9-16(12)13-6-7-20(24-11-13)25-21(26)15-4-2-3-5-17(15)22;1-11-7-17-13(9-21(24,25)29-17)8-14(11)12-5-6-18(26-10-12)27-20(28)19-15(22)3-2-4-16(19)23;1-11-7-17-13(9-18(24)28-17)8-14(11)12-5-6-19(25-10-12)26-21(27)20-15(22)3-2-4-16(20)23;1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21/h2-11H,1H3,(H,24,25,26);2-8,10H,9H2,1H3,(H,26,27,28);2-10H,1H3,(H,25,26,27);2-7,9-10H,8H2,1H3,(H,25,26,27)
InChIKeySHKLTISFVZOPEV-UHFFFAOYSA-N
MW1567.29 g/mol
LogP21.32
Rot. Bonds12

About 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 160835978) has the molecular formula C83H55Cl2F10N9O8 and a molecular weight of 1567.29 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID160835978
Molecular FormulaC83H55Cl2F10N9O8
Molecular Weight1567.29 g/mol
Exact Mass1565.34
IUPAC Name2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2.Cc1cc2oc(F)cc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2oc(F)cc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C21H14ClFN2O2.C21H14F4N2O2.C21H13F3N2O2.C20H14ClF2N3O2/c1-12-8-18-14(10-19(23)27-18)9-16(12)13-6-7-20(24-11-13)25-21(26)15-4-2-3-5-17(15)22;1-11-7-17-13(9-21(24,25)29-17)8-14(11)12-5-6-18(26-10-12)27-20(28)19-15(22)3-2-4-16(19)23;1-11-7-17-13(9-18(24)28-17)8-14(11)12-5-6-19(25-10-12)26-21(27)20-15(22)3-2-4-16(20)23;1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21/h2-11H,1H3,(H,24,25,26);2-8,10H,9H2,1H3,(H,26,27,28);2-10H,1H3,(H,25,26,27);2-7,9-10H,8H2,1H3,(H,25,26,27)
InChIKeySHKLTISFVZOPEV-UHFFFAOYSA-N
XLogP21.32
TPSA225.59 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.29
LogP ≤ 521.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 160835978) is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2.Cc1cc2oc(F)cc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2oc(F)cc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.
What is the InChIKey of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is SHKLTISFVZOPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2.C21H14F4N2O2.C21H13F3N2O2.C20H14ClF2N3O2/c1-12-8-18-14(10-19(23)27-18)9-16(12)13-6-7-20(24-11-13)25-21(26)15-4-2-3-5-17(15)22;1-11-7-17-13(9-21(24,25)29-17)8-14(11)12-5-6-18(26-10-12)27-20(28)19-15(22)3-2-4-16(19)23;1-11-7-17-13(9-18(24)28-17)8-14(11)12-5-6-19(25-10-12)26-21(27)20-15(22)3-2-4-16(20)23;1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21/h2-11H,1H3,(H,24,25,26);2-8,10H,9H2,1H3,(H,26,27,28);2-10H,1H3,(H,25,26,27);2-7,9-10H,8H2,1H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 1567.29 g/mol, XLogP of 21.32, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 160835978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).