1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide

C23H37ClFN3O2 — CID 142311962

About 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide

1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide (PubChem CID 142311962) has the molecular formula C23H37ClFN3O2 and a molecular weight of 442.02 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide.

Molecular Properties

• Compound Name: 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide
• PubChem CID: 142311962
• Molecular Formula: C23H37ClFN3O2
• Molecular Weight: 442.02 g/mol
• Exact Mass: 441.26
• IUPAC Name: 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide
• SMILES: CC(=O)NCC(C)F.CCCC(CCC)C(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12
• InChI: InChI=1S/C18H27ClN2O.C5H10FNO/c1-5-7-13(8-6-2)18(3,4)17(22)15-10-14(19)9-12-11-20-21-16(12)15;1-4(6)3-7-5(2)8/h9-11,13,17,22H,5-8H2,1-4H3,(H,20,21);4H,3H2,1-2H3,(H,7,8)
• InChIKey: DXQSUGIQHJUQTN-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 78.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.02
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide?

The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide (CID 142311962) is 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide.

What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide?

The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide is CC(=O)NCC(C)F.CCCC(CCC)C(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12.

What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide?

The InChIKey is DXQSUGIQHJUQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O.C5H10FNO/c1-5-7-13(8-6-2)18(3,4)17(22)15-10-14(19)9-12-11-20-21-16(12)15;1-4(6)3-7-5(2)8/h9-11,13,17,22H,5-8H2,1-4H3,(H,20,21);4H,3H2,1-2H3,(H,7,8).

What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide?

1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide has a molecular weight of 442.02 g/mol, XLogP of 5.97, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide is sourced from PubChem (CID 142311962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).