1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide

C22H25Cl2N3O2 — CID 146222514

About 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide (PubChem CID 146222514) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide
• PubChem CID: 146222514
• Molecular Formula: C22H25Cl2N3O2
• Molecular Weight: 434.37 g/mol
• Exact Mass: 433.13
• IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide
• SMILES: CC[C@H](C)C[C@@H](CO)NC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
• InChI: InChI=1S/C22H25Cl2N3O2/c1-3-14(2)10-17(13-28)25-22(29)21-18-6-4-5-7-20(18)27(26-21)12-15-8-9-16(23)11-19(15)24/h4-9,11,14,17,28H,3,10,12-13H2,1-2H3,(H,25,29)/t14-,17-/m0/s1
• InChIKey: LCPUUHRDHPHNBD-YOEHRIQHSA-N
• XLogP: 4.92
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.37
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide?

The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide (CID 146222514) is 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide.

What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide?

The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide is CC[C@H](C)C[C@@H](CO)NC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.

What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide?

The InChIKey is LCPUUHRDHPHNBD-YOEHRIQHSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-3-14(2)10-17(13-28)25-22(29)21-18-6-4-5-7-20(18)27(26-21)12-15-8-9-16(23)11-19(15)24/h4-9,11,14,17,28H,3,10,12-13H2,1-2H3,(H,25,29)/t14-,17-/m0/s1.

What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide?

1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide is sourced from PubChem (CID 146222514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).