N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide

C118H84Br3Cl2F5N12O14S5 — CID 158422756

About N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide

N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 158422756) has the molecular formula C118H84Br3Cl2F5N12O14S5 and a molecular weight of 2459.98 g/mol. Its IUPAC name is N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide
• PubChem CID: 158422756
• Molecular Formula: C118H84Br3Cl2F5N12O14S5
• Molecular Weight: 2459.98 g/mol
• Exact Mass: 2454.17
• IUPAC Name: N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(-c3cc(-c4cccs4)nn3C)cc2)C(S)C=C1.Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cn1nc(-c2cccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1F
• InChI: InChI=1S/C21H15F2N3OS.C21H19N3OS2.C20H13BrClNO3.C20H13BrFNO3.C18H13BrN2O3S.C18H11ClF2N2O3S/c1-26-18(12-17(25-26)19-6-3-11-28-19)13-7-9-14(10-8-13)24-21(27)20-15(22)4-2-5-16(20)23;1-13-5-10-18(26)20(13)21(25)22-15-8-6-14(7-9-15)17-12-16(23-24(17)2)19-4-3-11-27-19;2*21-16-10-19-18(25-11-26-19)9-15(16)12-5-7-13(8-6-12)23-20(24)14-3-1-2-4-17(14)22;1-10-8-20-25-17(10)18(22)21-12-4-2-11(3-5-12)13-6-15-16(7-14(13)19)24-9-23-15;1-9-8-22-27-16(9)17(24)23-11-4-2-10(3-5-11)12-6-14-15(7-13(12)19)26-18(20,21)25-14/h2-12H,1H3,(H,24,27);3-12,18,26H,1-2H3,(H,22,25);2*1-10H,11H2,(H,23,24);2-8H,9H2,1H3,(H,21,22);2-8H,1H3,(H,23,24)
• InChIKey: HARLJGMXEAGZEL-UHFFFAOYSA-N
• XLogP: 31.48
• TPSA: 309.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2459.98
LogP ≤ 5	31.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide?

The IUPAC name of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide (CID 158422756) is N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide.

What is the SMILES notation for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide?

The canonical SMILES for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide is CC1=C(C(=O)Nc2ccc(-c3cc(-c4cccs4)nn3C)cc2)C(S)C=C1.Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1.Cc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cn1nc(-c2cccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1)c1ccccc1F.

What is the InChIKey of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide?

The InChIKey is HARLJGMXEAGZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS.C21H19N3OS2.C20H13BrClNO3.C20H13BrFNO3.C18H13BrN2O3S.C18H11ClF2N2O3S/c1-26-18(12-17(25-26)19-6-3-11-28-19)13-7-9-14(10-8-13)24-21(27)20-15(22)4-2-5-16(20)23;1-13-5-10-18(26)20(13)21(25)22-15-8-6-14(7-9-15)17-12-16(23-24(17)2)19-4-3-11-27-19;2*21-16-10-19-18(25-11-26-19)9-15(16)12-5-7-13(8-6-12)23-20(24)14-3-1-2-4-17(14)22;1-10-8-20-25-17(10)18(22)21-12-4-2-11(3-5-12)13-6-15-16(7-14(13)19)24-9-23-15;1-9-8-22-27-16(9)17(24)23-11-4-2-10(3-5-11)12-6-14-15(7-13(12)19)26-18(20,21)25-14/h2-12H,1H3,(H,24,27);3-12,18,26H,1-2H3,(H,22,25);2*1-10H,11H2,(H,23,24);2-8H,9H2,1H3,(H,21,22);2-8H,1H3,(H,23,24).

What are the key properties of N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide?

N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 2459.98 g/mol, XLogP of 31.48, 20 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 158422756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).