2-amino-5-bromobenzamide

C7H7BrN2O — CID 5019271

IUPAC2-amino-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C7H7BrN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyLHAJKJQNMKXZSZ-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.13
Rot. Bonds1

About 2-amino-5-bromobenzamide

2-amino-5-bromobenzamide (PubChem CID 5019271) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 2-amino-5-bromobenzamide.

Molecular Properties

Compound Name2-amino-5-bromobenzamide
PubChem CID5019271
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name2-amino-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C7H7BrN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyLHAJKJQNMKXZSZ-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'}

Analyze 2-amino-5-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromobenzamide?
The IUPAC name of 2-amino-5-bromobenzamide (CID 5019271) is 2-amino-5-bromobenzamide.
What is the SMILES notation for 2-amino-5-bromobenzamide?
The canonical SMILES for 2-amino-5-bromobenzamide is NC(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromobenzamide?
The InChIKey is LHAJKJQNMKXZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11).
What are the key properties of 2-amino-5-bromobenzamide?
2-amino-5-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-5-bromobenzamide is sourced from PubChem (CID 5019271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).