3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide

C13H9Br2FN2O — CID 107596264

IUPAC3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2c(F)cccc2Br)c1Br
InChIInChI=1S/C13H9Br2FN2O/c14-8-4-2-5-9(16)12(8)18-13(19)7-3-1-6-10(17)11(7)15/h1-6H,17H2,(H,18,19)
InChIKeyZEWQEEAYKXKRHT-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.19
Rot. Bonds2

About 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide

3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide (PubChem CID 107596264) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
PubChem CID107596264
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC Name3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2c(F)cccc2Br)c1Br
InChIInChI=1S/C13H9Br2FN2O/c14-8-4-2-5-9(16)12(8)18-13(19)7-3-1-6-10(17)11(7)15/h1-6H,17H2,(H,18,19)
InChIKeyZEWQEEAYKXKRHT-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
N-(2-bromo-6-fluorophenyl)-2-(methylamino)benzamide
CID 107601184
3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
CID 107596209
6-amino-N-(2-bromo-6-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 107596239
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide
CID 107986345
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide (CID 107596264) is 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide is Nc1cccc(C(=O)Nc2c(F)cccc2Br)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide?
The InChIKey is ZEWQEEAYKXKRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c14-8-4-2-5-9(16)12(8)18-13(19)7-3-1-6-10(17)11(7)15/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide?
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide has a molecular weight of 388.03 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide is sourced from PubChem (CID 107596264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).