2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide

C16H14BrN3O2 — CID 169099717

IUPAC2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(Br)C(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C16H14BrN3O2/c1-22-13-4-2-3-10(8-13)15(17)16(21)19-12-5-6-14-11(7-12)9-18-20-14/h2-9,15H,1H3,(H,18,20)(H,19,21)
InChIKeyMAQJMWSPSCLEMN-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.65
Rot. Bonds4

About 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide

2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 169099717) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID169099717
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(Br)C(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C16H14BrN3O2/c1-22-13-4-2-3-10(8-13)15(17)16(21)19-12-5-6-14-11(7-12)9-18-20-14/h2-9,15H,1H3,(H,18,20)(H,19,21)
InChIKeyMAQJMWSPSCLEMN-UHFFFAOYSA-N
XLogP3.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 142520969
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
N-(1H-indazol-5-yl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11773316
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
2-(3-methoxyphenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425440
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide (CID 169099717) is 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(C(Br)C(=O)Nc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is MAQJMWSPSCLEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-22-13-4-2-3-10(8-13)15(17)16(21)19-12-5-6-14-11(7-12)9-18-20-14/h2-9,15H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide?
2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 360.21 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 169099717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).