N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide

C123H93Cl4F15N12O18 — CID 161237412

About N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide (PubChem CID 161237412) has the molecular formula C123H93Cl4F15N12O18 and a molecular weight of 2453.94 g/mol. Its IUPAC name is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
• PubChem CID: 161237412
• Molecular Formula: C123H93Cl4F15N12O18
• Molecular Weight: 2453.94 g/mol
• Exact Mass: 2450.52
• IUPAC Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
• SMILES: CC1=NCC(C)=C1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCn1cccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)c(C)cn3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)c(C)nn3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)ccn3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1F)OC(F)(F)O2
• InChI: InChI=1S/C21H17ClF2N2O3.C21H12F5NO3.C21H18F2N2O3.C20H16ClF2N3O3.2C20H15ClF2N2O3/c1-11-8-16-17(29-21(23,24)28-16)9-15(11)13-4-6-14(7-5-13)25-20(27)19-18(22)12(2)10-26(19)3;1-10-7-17-18(30-21(25,26)29-17)9-13(10)12-6-5-11(8-16(12)24)27-20(28)19-14(22)3-2-4-15(19)23;1-11-8-17-18(28-21(22,23)27-17)9-16(11)14-4-6-15(7-5-14)25-20(26)19-12(2)10-24-13(19)3;1-10-8-15-16(29-20(22,23)28-15)9-14(10)12-4-6-13(7-5-12)24-19(27)18-17(21)11(2)25-26(18)3;1-11-9-16-17(28-20(22,23)27-16)10-14(11)12-3-5-13(6-4-12)24-19(26)18-15(21)7-8-25(18)2;1-2-25-9-3-4-16(25)19(26)24-13-7-5-12(6-8-13)14-10-17-18(11-15(14)21)28-20(22,23)27-17/h4-10H,1-3H3,(H,25,27);2-9H,1H3,(H,27,28);4-9H,10H2,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,27);3-10H,1-2H3,(H,24,26);3-11H,2H2,1H3,(H,24,26)
• InChIKey: UZODPEIQNKRFSO-UHFFFAOYSA-N
• XLogP: 31.46
• TPSA: 330.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2453.94
LogP ≤ 5	31.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?

The IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide (CID 161237412) is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide.

What is the SMILES notation for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?

The canonical SMILES for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide is CC1=NCC(C)=C1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCn1cccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)c(C)cn3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)c(C)nn3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)ccn3C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1F)OC(F)(F)O2.

What is the InChIKey of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?

The InChIKey is UZODPEIQNKRFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O3.C21H12F5NO3.C21H18F2N2O3.C20H16ClF2N3O3.2C20H15ClF2N2O3/c1-11-8-16-17(29-21(23,24)28-16)9-15(11)13-4-6-14(7-5-13)25-20(27)19-18(22)12(2)10-26(19)3;1-10-7-17-18(30-21(25,26)29-17)9-13(10)12-6-5-11(8-16(12)24)27-20(28)19-14(22)3-2-4-15(19)23;1-11-8-17-18(28-21(22,23)27-17)9-16(11)14-4-6-15(7-5-14)25-20(26)19-12(2)10-24-13(19)3;1-10-8-15-16(29-20(22,23)28-15)9-14(10)12-4-6-13(7-5-12)24-19(27)18-17(21)11(2)25-26(18)3;1-11-9-16-17(28-20(22,23)27-16)10-14(11)12-3-5-13(6-4-12)24-19(26)18-15(21)7-8-25(18)2;1-2-25-9-3-4-16(25)19(26)24-13-7-5-12(6-8-13)14-10-17-18(11-15(14)21)28-20(22,23)27-17/h4-10H,1-3H3,(H,25,27);2-9H,1H3,(H,27,28);4-9H,10H2,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,27);3-10H,1-2H3,(H,24,26);3-11H,2H2,1H3,(H,24,26).

What are the key properties of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide has a molecular weight of 2453.94 g/mol, XLogP of 31.46, 19 rotatable bonds, 6 hydrogen bond donors, and 24 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]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 161237412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).