N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C113H78Cl2F10N8O18S2 — CID 159472068

About N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 159472068) has the molecular formula C113H78Cl2F10N8O18S2 and a molecular weight of 2160.92 g/mol. Its IUPAC name is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 159472068
• Molecular Formula: C113H78Cl2F10N8O18S2
• Molecular Weight: 2160.92 g/mol
• Exact Mass: 2158.41
• IUPAC Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3oc(-c4ccccc4)nc3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3occc3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc1)OC(F)(F)O2.Cc1ccoc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1
• InChI: InChI=1S/C25H18F2N2O4.C25H18F2N2O3S.C24H15ClF2N2O3S.C20H15F2NO4.C19H12ClF2NO4/c1-14-12-20-21(33-25(26,27)32-20)13-19(14)16-8-10-18(11-9-16)29-23(30)22-15(2)28-24(31-22)17-6-4-3-5-7-17;1-14-12-20-21(32-25(26,27)31-20)13-19(14)16-8-10-18(11-9-16)29-23(30)22-15(2)28-24(33-22)17-6-4-3-5-7-17;1-13-21(33-23(28-13)15-5-3-2-4-6-15)22(30)29-16-9-7-14(8-10-16)17-11-19-20(12-18(17)25)32-24(26,27)31-19;1-11-7-8-25-18(11)19(24)23-14-5-3-13(4-6-14)15-10-17-16(9-12(15)2)26-20(21,22)27-17;1-10-6-7-25-17(10)18(24)23-12-4-2-11(3-5-12)13-8-15-16(9-14(13)20)27-19(21,22)26-15/h2*3-13H,1-2H3,(H,29,30);2-12H,1H3,(H,29,30);3-10H,1-2H3,(H,23,24);2-9H,1H3,(H,23,24)
• InChIKey: LVXVBVVTFKSFTP-UHFFFAOYSA-N
• XLogP: 30.50
• TPSA: 315.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.92
LogP ≤ 5	30.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 159472068) is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3oc(-c4ccccc4)nc3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3occc3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc1)OC(F)(F)O2.Cc1ccoc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.

What is the InChIKey of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is LVXVBVVTFKSFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O4.C25H18F2N2O3S.C24H15ClF2N2O3S.C20H15F2NO4.C19H12ClF2NO4/c1-14-12-20-21(33-25(26,27)32-20)13-19(14)16-8-10-18(11-9-16)29-23(30)22-15(2)28-24(31-22)17-6-4-3-5-7-17;1-14-12-20-21(32-25(26,27)31-20)13-19(14)16-8-10-18(11-9-16)29-23(30)22-15(2)28-24(33-22)17-6-4-3-5-7-17;1-13-21(33-23(28-13)15-5-3-2-4-6-15)22(30)29-16-9-7-14(8-10-16)17-11-19-20(12-18(17)25)32-24(26,27)31-19;1-11-7-8-25-18(11)19(24)23-14-5-3-13(4-6-14)15-10-17-16(9-12(15)2)26-20(21,22)27-17;1-10-6-7-25-17(10)18(24)23-12-4-2-11(3-5-12)13-8-15-16(9-14(13)20)27-19(21,22)26-15/h2*3-13H,1-2H3,(H,29,30);2-12H,1H3,(H,29,30);3-10H,1-2H3,(H,23,24);2-9H,1H3,(H,23,24).

What are the key properties of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 2160.92 g/mol, XLogP of 30.50, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3-methylfuran-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159472068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).