2-amino-3-bromo-5-(trifluoromethyl)benzamide

C8H6BrF3N2O — CID 119005136

IUPAC2-amino-3-bromo-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(Br)c1N
InChIInChI=1S/C8H6BrF3N2O/c9-5-2-3(8(10,11)12)1-4(6(5)13)7(14)15/h1-2H,13H2,(H2,14,15)
InChIKeyWOHMZJGAUQRFAI-UHFFFAOYSA-N
MW283.05 g/mol
LogP2.15
Rot. Bonds1

About 2-amino-3-bromo-5-(trifluoromethyl)benzamide

2-amino-3-bromo-5-(trifluoromethyl)benzamide (PubChem CID 119005136) has the molecular formula C8H6BrF3N2O and a molecular weight of 283.05 g/mol. Its IUPAC name is 2-amino-3-bromo-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-bromo-5-(trifluoromethyl)benzamide
PubChem CID119005136
Molecular FormulaC8H6BrF3N2O
Molecular Weight283.05 g/mol
Exact Mass281.96
IUPAC Name2-amino-3-bromo-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(Br)c1N
InChIInChI=1S/C8H6BrF3N2O/c9-5-2-3(8(10,11)12)1-4(6(5)13)7(14)15/h1-2H,13H2,(H2,14,15)
InChIKeyWOHMZJGAUQRFAI-UHFFFAOYSA-N
XLogP2.15
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 52.15
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-3-bromo-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-3-bromo-5-(trifluoromethyl)benzamide (CID 119005136) is 2-amino-3-bromo-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-3-bromo-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-3-bromo-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)cc(Br)c1N.
What is the InChIKey of 2-amino-3-bromo-5-(trifluoromethyl)benzamide?
The InChIKey is WOHMZJGAUQRFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O/c9-5-2-3(8(10,11)12)1-4(6(5)13)7(14)15/h1-2H,13H2,(H2,14,15).
What are the key properties of 2-amino-3-bromo-5-(trifluoromethyl)benzamide?
2-amino-3-bromo-5-(trifluoromethyl)benzamide has a molecular weight of 283.05 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 119005136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).