N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide

C133H106Cl3F12N7O24 — CID 161267072

IUPACN-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide
SMILESCCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C(C)C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C)cc1)OC(F)(F)O2.Cc1coc(C)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1
InChIInChI=1S/C24H15ClF2N2O4.2C23H21F2NO4.C22H18ClF2NO4.C21H17F2NO4.C20H14ClF2NO4/c1-13-21(31-23(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)33-24(26,27)32-19;1-12(2)21-20(14(4)11-28-21)22(27)26-16-7-5-15(6-8-16)17-10-19-18(9-13(17)3)29-23(24,25)30-19;1-4-14-12-28-18(5-2)21(14)22(27)26-16-8-6-15(7-9-16)17-11-20-19(10-13(17)3)29-23(24,25)30-20;1-3-12-11-28-17(4-2)20(12)21(27)26-14-7-5-13(6-8-14)15-9-18-19(10-16(15)23)30-22(24,25)29-18;1-11-8-17-18(28-21(22,23)27-17)9-16(11)14-4-6-15(7-5-14)24-20(25)19-12(2)10-26-13(19)3;1-10-9-26-11(2)18(10)19(25)24-13-5-3-12(4-6-13)14-7-16-17(8-15(14)21)28-20(22,23)27-16/h2-12H,1H3,(H,29,30);5-12H,1-4H3,(H,26,27);6-12H,4-5H2,1-3H3,(H,26,27);5-11H,3-4H2,1-2H3,(H,26,27);4-10H,1-3H3,(H,24,25);3-9H,1-2H3,(H,24,25)
InChIKeyVDICIDAAGVHKLM-UHFFFAOYSA-N
MW2520.67 g/mol
LogP36.29
Rot. Bonds24

About N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide (PubChem CID 161267072) has the molecular formula C133H106Cl3F12N7O24 and a molecular weight of 2520.67 g/mol. Its IUPAC name is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide
PubChem CID161267072
Molecular FormulaC133H106Cl3F12N7O24
Molecular Weight2520.67 g/mol
Exact Mass2517.62
IUPAC NameN-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide
SMILESCCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C(C)C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C)cc1)OC(F)(F)O2.Cc1coc(C)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1
InChIInChI=1S/C24H15ClF2N2O4.2C23H21F2NO4.C22H18ClF2NO4.C21H17F2NO4.C20H14ClF2NO4/c1-13-21(31-23(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)33-24(26,27)32-19;1-12(2)21-20(14(4)11-28-21)22(27)26-16-7-5-15(6-8-16)17-10-19-18(9-13(17)3)29-23(24,25)30-19;1-4-14-12-28-18(5-2)21(14)22(27)26-16-8-6-15(7-9-16)17-11-20-19(10-13(17)3)29-23(24,25)30-20;1-3-12-11-28-17(4-2)20(12)21(27)26-14-7-5-13(6-8-14)15-9-18-19(10-16(15)23)30-22(24,25)29-18;1-11-8-17-18(28-21(22,23)27-17)9-16(11)14-4-6-15(7-5-14)24-20(25)19-12(2)10-26-13(19)3;1-10-9-26-11(2)18(10)19(25)24-13-5-3-12(4-6-13)14-7-16-17(8-15(14)21)28-20(22,23)27-16/h2-12H,1H3,(H,29,30);5-12H,1-4H3,(H,26,27);6-12H,4-5H2,1-3H3,(H,26,27);5-11H,3-4H2,1-2H3,(H,26,27);4-10H,1-3H3,(H,24,25);3-9H,1-2H3,(H,24,25)
InChIKeyVDICIDAAGVHKLM-UHFFFAOYSA-N
XLogP36.29
TPSA377.09 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms179
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002520.67
LogP ≤ 536.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide 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

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide (CID 161267072) is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide is CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCc1coc(CC)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C(C)C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C)cc1)OC(F)(F)O2.Cc1coc(C)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1nc(-c2ccccc2)oc1C(=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]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide?
The InChIKey is VDICIDAAGVHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF2N2O4.2C23H21F2NO4.C22H18ClF2NO4.C21H17F2NO4.C20H14ClF2NO4/c1-13-21(31-23(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)33-24(26,27)32-19;1-12(2)21-20(14(4)11-28-21)22(27)26-16-7-5-15(6-8-16)17-10-19-18(9-13(17)3)29-23(24,25)30-19;1-4-14-12-28-18(5-2)21(14)22(27)26-16-8-6-15(7-9-16)17-11-20-19(10-13(17)3)29-23(24,25)30-20;1-3-12-11-28-17(4-2)20(12)21(27)26-14-7-5-13(6-8-14)15-9-18-19(10-16(15)23)30-22(24,25)29-18;1-11-8-17-18(28-21(22,23)27-17)9-16(11)14-4-6-15(7-5-14)24-20(25)19-12(2)10-26-13(19)3;1-10-9-26-11(2)18(10)19(25)24-13-5-3-12(4-6-13)14-7-16-17(8-15(14)21)28-20(22,23)27-16/h2-12H,1H3,(H,29,30);5-12H,1-4H3,(H,26,27);6-12H,4-5H2,1-3H3,(H,26,27);5-11H,3-4H2,1-2H3,(H,26,27);4-10H,1-3H3,(H,24,25);3-9H,1-2H3,(H,24,25).
What are the key properties of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide?
N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide has a molecular weight of 2520.67 g/mol, XLogP of 36.29, 24 rotatable bonds, 6 hydrogen bond donors, and 25 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]-2,4-diethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-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]-2,4-diethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-2-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 161267072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).