2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide

C13H8BrF3N2O — CID 63109685

IUPAC2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H8BrF3N2O/c14-9-3-7(16)4-10(17)12(9)19-13(20)8-2-1-6(15)5-11(8)18/h1-5H,18H2,(H,19,20)
InChIKeyVJDVEIYTZGEKEU-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.70
Rot. Bonds2

About 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide

2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide (PubChem CID 63109685) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
PubChem CID63109685
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H8BrF3N2O/c14-9-3-7(16)4-10(17)12(9)19-13(20)8-2-1-6(15)5-11(8)18/h1-5H,18H2,(H,19,20)
InChIKeyVJDVEIYTZGEKEU-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 53.70
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

3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N-(4-amino-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide
CID 107013162
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide
CID 43244596
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide (CID 63109685) is 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide?
The InChIKey is VJDVEIYTZGEKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-9-3-7(16)4-10(17)12(9)19-13(20)8-2-1-6(15)5-11(8)18/h1-5H,18H2,(H,19,20).
What are the key properties of 2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide?
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide has a molecular weight of 345.12 g/mol, XLogP of 3.70, 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-4,6-difluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 63109685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).