4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide

C15H12BrN3O — CID 102851224

IUPAC4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide
SMILESO=C(Nc1cccc2[nH]ncc12)c1ccc(CBr)cc1
InChIInChI=1S/C15H12BrN3O/c16-8-10-4-6-11(7-5-10)15(20)18-13-2-1-3-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20)
InChIKeyWYPHNPRAXHZEGW-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.71
Rot. Bonds3

About 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide

4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide (PubChem CID 102851224) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide
PubChem CID102851224
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide
SMILESO=C(Nc1cccc2[nH]ncc12)c1ccc(CBr)cc1
InChIInChI=1S/C15H12BrN3O/c16-8-10-4-6-11(7-5-10)15(20)18-13-2-1-3-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20)
InChIKeyWYPHNPRAXHZEGW-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide (CID 102851224) is 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide is O=C(Nc1cccc2[nH]ncc12)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide?
The InChIKey is WYPHNPRAXHZEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-8-10-4-6-11(7-5-10)15(20)18-13-2-1-3-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20).
What are the key properties of 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide?
4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide has a molecular weight of 330.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide is sourced from PubChem (CID 102851224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).