2-amino-4-bromo-6-(trifluoromethoxy)benzamide

C8H6BrF3N2O2 — CID 119024469

IUPAC2-amino-4-bromo-6-(trifluoromethoxy)benzamide
SMILESNC(=O)c1c(N)cc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H6BrF3N2O2/c9-3-1-4(13)6(7(14)15)5(2-3)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyCUYOCUQMWUUOLJ-UHFFFAOYSA-N
MW299.05 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-4-bromo-6-(trifluoromethoxy)benzamide

2-amino-4-bromo-6-(trifluoromethoxy)benzamide (PubChem CID 119024469) has the molecular formula C8H6BrF3N2O2 and a molecular weight of 299.05 g/mol. Its IUPAC name is 2-amino-4-bromo-6-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-6-(trifluoromethoxy)benzamide
PubChem CID119024469
Molecular FormulaC8H6BrF3N2O2
Molecular Weight299.05 g/mol
Exact Mass297.96
IUPAC Name2-amino-4-bromo-6-(trifluoromethoxy)benzamide
SMILESNC(=O)c1c(N)cc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H6BrF3N2O2/c9-3-1-4(13)6(7(14)15)5(2-3)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyCUYOCUQMWUUOLJ-UHFFFAOYSA-N
XLogP2.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.05
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(trifluoromethoxy)benzamide
CID 119018163
2-amino-5-bromo-3-(trifluoromethoxy)benzoic acid
CID 131364248
2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
CID 119008473
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
3-amino-5-bromo-4-(trifluoromethoxy)benzamide
CID 131327228
4-amino-2-bromo-5-(trifluoromethoxy)benzoic acid
CID 118829327
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128
5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404776
2-amino-4,6-dibromobenzoic acid
CID 12868557

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-6-(trifluoromethoxy)benzamide?
The IUPAC name of 2-amino-4-bromo-6-(trifluoromethoxy)benzamide (CID 119024469) is 2-amino-4-bromo-6-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-amino-4-bromo-6-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-amino-4-bromo-6-(trifluoromethoxy)benzamide is NC(=O)c1c(N)cc(Br)cc1OC(F)(F)F.
What is the InChIKey of 2-amino-4-bromo-6-(trifluoromethoxy)benzamide?
The InChIKey is CUYOCUQMWUUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O2/c9-3-1-4(13)6(7(14)15)5(2-3)16-8(10,11)12/h1-2H,13H2,(H2,14,15).
What are the key properties of 2-amino-4-bromo-6-(trifluoromethoxy)benzamide?
2-amino-4-bromo-6-(trifluoromethoxy)benzamide has a molecular weight of 299.05 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-6-(trifluoromethoxy)benzamide is sourced from PubChem (CID 119024469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).