2-amino-5-bromo-3-fluorobenzamide

C7H6BrFN2O — CID 89070227

IUPAC2-amino-5-bromo-3-fluorobenzamide
SMILESNC(=O)c1cc(Br)cc(F)c1N
InChIInChI=1S/C7H6BrFN2O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H2,11,12)
InChIKeyMYDZXUXXPYLZGR-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.27
Rot. Bonds1

About 2-amino-5-bromo-3-fluorobenzamide

2-amino-5-bromo-3-fluorobenzamide (PubChem CID 89070227) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-amino-5-bromo-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-bromo-3-fluorobenzamide
PubChem CID89070227
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name2-amino-5-bromo-3-fluorobenzamide
SMILESNC(=O)c1cc(Br)cc(F)c1N
InChIInChI=1S/C7H6BrFN2O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H2,11,12)
InChIKeyMYDZXUXXPYLZGR-UHFFFAOYSA-N
XLogP1.27
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.27
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-5-bromo-3-fluorobenzamide?
The IUPAC name of 2-amino-5-bromo-3-fluorobenzamide (CID 89070227) is 2-amino-5-bromo-3-fluorobenzamide.
What is the SMILES notation for 2-amino-5-bromo-3-fluorobenzamide?
The canonical SMILES for 2-amino-5-bromo-3-fluorobenzamide is NC(=O)c1cc(Br)cc(F)c1N.
What is the InChIKey of 2-amino-5-bromo-3-fluorobenzamide?
The InChIKey is MYDZXUXXPYLZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H2,11,12).
What are the key properties of 2-amino-5-bromo-3-fluorobenzamide?
2-amino-5-bromo-3-fluorobenzamide has a molecular weight of 233.04 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-fluorobenzamide is sourced from PubChem (CID 89070227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).