N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide

C19H20FN3O2 — CID 122136346

IUPACN-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide
SMILESCOC(c1ccccc1F)C(C)NC(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H20FN3O2/c1-12(19(25-2)15-5-3-4-6-16(15)20)22-18(24)10-13-7-8-14-11-21-23-17(14)9-13/h3-9,11-12,19H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQKKLXEJEBHFWQY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.14
Rot. Bonds6

About N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide

N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide (PubChem CID 122136346) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide
PubChem CID122136346
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide
SMILESCOC(c1ccccc1F)C(C)NC(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H20FN3O2/c1-12(19(25-2)15-5-3-4-6-16(15)20)22-18(24)10-13-7-8-14-11-21-23-17(14)9-13/h3-9,11-12,19H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQKKLXEJEBHFWQY-UHFFFAOYSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide?
The IUPAC name of N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide (CID 122136346) is N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide is COC(c1ccccc1F)C(C)NC(=O)Cc1ccc2cn[nH]c2c1.
What is the InChIKey of N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide?
The InChIKey is QKKLXEJEBHFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12(19(25-2)15-5-3-4-6-16(15)20)22-18(24)10-13-7-8-14-11-21-23-17(14)9-13/h3-9,11-12,19H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide?
N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 122136346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).