3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide

C27H23BrCl5N7O3 — CID 175051486

About 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide

3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide (PubChem CID 175051486) has the molecular formula C27H23BrCl5N7O3 and a molecular weight of 750.70 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide.

Molecular Properties

• Compound Name: 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide
• PubChem CID: 175051486
• Molecular Formula: C27H23BrCl5N7O3
• Molecular Weight: 750.70 g/mol
• Exact Mass: 746.95
• IUPAC Name: 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide
• SMILES: CNC(=O)c1cc(Cl)cc(Cl)c1N(C)C(=O)c1cc(Br)nn1-c1ncccc1Cl.CNC(=O)c1cc(Cl)cc(Cl)c1NC
• InChI: InChI=1S/C18H13BrCl3N5O2.C9H10Cl2N2O/c1-23-17(28)10-6-9(20)7-12(22)15(10)26(2)18(29)13-8-14(19)25-27(13)16-11(21)4-3-5-24-16;1-12-8-6(9(14)13-2)3-5(10)4-7(8)11/h3-8H,1-2H3,(H,23,28);3-4,12H,1-2H3,(H,13,14)
• InChIKey: GVCWFDDSDAMNKF-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 121.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.70
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide?

The IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide (CID 175051486) is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide.

What is the SMILES notation for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide?

The canonical SMILES for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide is CNC(=O)c1cc(Cl)cc(Cl)c1N(C)C(=O)c1cc(Br)nn1-c1ncccc1Cl.CNC(=O)c1cc(Cl)cc(Cl)c1NC.

What is the InChIKey of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide?

The InChIKey is GVCWFDDSDAMNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl3N5O2.C9H10Cl2N2O/c1-23-17(28)10-6-9(20)7-12(22)15(10)26(2)18(29)13-8-14(19)25-27(13)16-11(21)4-3-5-24-16;1-12-8-6(9(14)13-2)3-5(10)4-7(8)11/h3-8H,1-2H3,(H,23,28);3-4,12H,1-2H3,(H,13,14).

What are the key properties of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide?

3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide has a molecular weight of 750.70 g/mol, XLogP of 7.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 175051486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).