2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide

C15H12BrN3O — CID 6466581

IUPAC2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H12BrN3O/c16-12-3-1-10(2-4-12)7-15(20)18-13-5-6-14-11(8-13)9-17-19-14/h1-6,8-9H,7H2,(H,17,19)(H,18,20)
InChIKeyXMELLZLNYDJDBW-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide

2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide (PubChem CID 6466581) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide
PubChem CID6466581
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H12BrN3O/c16-12-3-1-10(2-4-12)7-15(20)18-13-5-6-14-11(8-13)9-17-19-14/h1-6,8-9H,7H2,(H,17,19)(H,18,20)
InChIKeyXMELLZLNYDJDBW-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide (CID 6466581) is 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide?
The InChIKey is XMELLZLNYDJDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-12-3-1-10(2-4-12)7-15(20)18-13-5-6-14-11(8-13)9-17-19-14/h1-6,8-9H,7H2,(H,17,19)(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide?
2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide has a molecular weight of 330.19 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 6466581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).