2-amino-6-bromobenzamide

C7H7BrN2O — CID 67055862

IUPAC2-amino-6-bromobenzamide
SMILESNC(=O)c1c(N)cccc1Br
InChIInChI=1S/C7H7BrN2O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyAFUSFTKHJJAFNH-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.13
Rot. Bonds1

About 2-amino-6-bromobenzamide

2-amino-6-bromobenzamide (PubChem CID 67055862) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 2-amino-6-bromobenzamide.

Molecular Properties

Compound Name2-amino-6-bromobenzamide
PubChem CID67055862
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name2-amino-6-bromobenzamide
SMILESNC(=O)c1c(N)cccc1Br
InChIInChI=1S/C7H7BrN2O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyAFUSFTKHJJAFNH-UHFFFAOYSA-N
XLogP1.13
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromobenzamide?
The IUPAC name of 2-amino-6-bromobenzamide (CID 67055862) is 2-amino-6-bromobenzamide.
What is the SMILES notation for 2-amino-6-bromobenzamide?
The canonical SMILES for 2-amino-6-bromobenzamide is NC(=O)c1c(N)cccc1Br.
What is the InChIKey of 2-amino-6-bromobenzamide?
The InChIKey is AFUSFTKHJJAFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H2,10,11).
What are the key properties of 2-amino-6-bromobenzamide?
2-amino-6-bromobenzamide has a molecular weight of 215.05 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromobenzamide is sourced from PubChem (CID 67055862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).