3-amino-5-bromo-4-(trifluoromethoxy)benzamide

C8H6BrF3N2O2 — CID 131327228

IUPAC3-amino-5-bromo-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(N)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H6BrF3N2O2/c9-4-1-3(7(14)15)2-5(13)6(4)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyQRNFJPRXQIVUFK-UHFFFAOYSA-N
MW299.05 g/mol
LogP2.03
Rot. Bonds2

About 3-amino-5-bromo-4-(trifluoromethoxy)benzamide

3-amino-5-bromo-4-(trifluoromethoxy)benzamide (PubChem CID 131327228) has the molecular formula C8H6BrF3N2O2 and a molecular weight of 299.05 g/mol. Its IUPAC name is 3-amino-5-bromo-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-4-(trifluoromethoxy)benzamide
PubChem CID131327228
Molecular FormulaC8H6BrF3N2O2
Molecular Weight299.05 g/mol
Exact Mass297.96
IUPAC Name3-amino-5-bromo-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(N)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H6BrF3N2O2/c9-4-1-3(7(14)15)2-5(13)6(4)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyQRNFJPRXQIVUFK-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

5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
CID 131397954
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469
3-bromo-5-cyano-4-(trifluoromethoxy)benzoic acid
CID 134651982
methyl 3-amino-5-chloro-4-(trifluoromethoxy)benzoate
CID 134645550
1-(3-amino-5-bromo-4-methoxyphenyl)ethanone
CID 14734843
3-bromo-4,5-dimethoxybenzamide
CID 900808
3-bromo-5-pyrrolidin-1-yl-4-(trifluoromethoxy)benzoic acid
CID 168515686
1-[6-amino-3-bromo-2-(trifluoromethoxy)phenyl]ethanone
CID 131465353
3-bromo-4-chloro-5-(trifluoromethyl)benzamide
CID 146676133
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
4-amino-2-bromo-5-(trifluoromethoxy)benzoic acid
CID 118829327

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-5-bromo-4-(trifluoromethoxy)benzamide (CID 131327228) is 3-amino-5-bromo-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-5-bromo-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-5-bromo-4-(trifluoromethoxy)benzamide is NC(=O)c1cc(N)c(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-4-(trifluoromethoxy)benzamide?
The InChIKey is QRNFJPRXQIVUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O2/c9-4-1-3(7(14)15)2-5(13)6(4)16-8(10,11)12/h1-2H,13H2,(H2,14,15).
What are the key properties of 3-amino-5-bromo-4-(trifluoromethoxy)benzamide?
3-amino-5-bromo-4-(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 3-amino-5-bromo-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 131327228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).