N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride

C18H24ClFN4O — CID 154898311

About N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 154898311) has the molecular formula C18H24ClFN4O and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride
• PubChem CID: 154898311
• Molecular Formula: C18H24ClFN4O
• Molecular Weight: 366.87 g/mol
• Exact Mass: 366.16
• IUPAC Name: N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride
• SMILES: CNCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1.Cl
• InChI: InChI=1S/C18H23FN4O.ClH/c1-18(2)8-15(22-17(24)11-20-3)14-10-21-23(16(14)9-18)13-6-4-5-12(19)7-13;/h4-7,10,15,20H,8-9,11H2,1-3H3,(H,22,24);1H
• InChIKey: YXXSKTCRDILFEC-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.87
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride?

The IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride (CID 154898311) is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride.

What is the SMILES notation for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride?

The canonical SMILES for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1.Cl.

What is the InChIKey of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride?

The InChIKey is YXXSKTCRDILFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.ClH/c1-18(2)8-15(22-17(24)11-20-3)14-10-21-23(16(14)9-18)13-6-4-5-12(19)7-13;/h4-7,10,15,20H,8-9,11H2,1-3H3,(H,22,24);1H.

What are the key properties of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride?

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 154898311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).