2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide

C13H9BrF2N2O — CID 107596162

IUPAC2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-9-2-1-3-10(16)12(9)18-13(19)8-6-7(15)4-5-11(8)17/h1-6H,17H2,(H,18,19)
InChIKeyMIHHATRIFMSCJL-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.56
Rot. Bonds2

About 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide

2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide (PubChem CID 107596162) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
PubChem CID107596162
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-9-2-1-3-10(16)12(9)18-13(19)8-6-7(15)4-5-11(8)17/h1-6H,17H2,(H,18,19)
InChIKeyMIHHATRIFMSCJL-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.56
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

6-amino-N-(2-bromo-6-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 107596239
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide
CID 103741282
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide (CID 107596162) is 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide is Nc1ccc(F)cc1C(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide?
The InChIKey is MIHHATRIFMSCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-2-1-3-10(16)12(9)18-13(19)8-6-7(15)4-5-11(8)17/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide?
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide has a molecular weight of 327.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide is sourced from PubChem (CID 107596162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).