2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide

C16H15FN4O — CID 154700287

IUPAC2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)(c1cccc(F)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H15FN4O/c1-19-16(15(18)22,11-3-2-4-13(17)8-11)12-5-6-14-10(7-12)9-20-21-14/h2-9,19H,1H3,(H2,18,22)(H,20,21)
InChIKeyZBKMCLLJBOJBJZ-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.65
Rot. Bonds4

About 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide

2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide (PubChem CID 154700287) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide
PubChem CID154700287
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)(c1cccc(F)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H15FN4O/c1-19-16(15(18)22,11-3-2-4-13(17)8-11)12-5-6-14-10(7-12)9-20-21-14/h2-9,19H,1H3,(H2,18,22)(H,20,21)
InChIKeyZBKMCLLJBOJBJZ-UHFFFAOYSA-N
XLogP1.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide (CID 154700287) is 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide is CNC(C(N)=O)(c1cccc(F)c1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide?
The InChIKey is ZBKMCLLJBOJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-19-16(15(18)22,11-3-2-4-13(17)8-11)12-5-6-14-10(7-12)9-20-21-14/h2-9,19H,1H3,(H2,18,22)(H,20,21).
What are the key properties of 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide?
2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide has a molecular weight of 298.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 154700287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).