3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide

C13H11BrFN3O — CID 107596194

IUPAC3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2c(F)cccc2Br)c1
InChIInChI=1S/C13H11BrFN3O/c14-10-2-1-3-11(15)12(10)18-13(19)7-4-8(16)6-9(17)5-7/h1-6H,16-17H2,(H,18,19)
InChIKeyGGXHTJYJBJCXJO-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.00
Rot. Bonds2

About 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide

3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide (PubChem CID 107596194) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
PubChem CID107596194
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2c(F)cccc2Br)c1
InChIInChI=1S/C13H11BrFN3O/c14-10-2-1-3-11(15)12(10)18-13(19)7-4-8(16)6-9(17)5-7/h1-6H,16-17H2,(H,18,19)
InChIKeyGGXHTJYJBJCXJO-UHFFFAOYSA-N
XLogP3.00
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
CID 107596142
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
CID 107596209
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide (CID 107596194) is 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide is Nc1cc(N)cc(C(=O)Nc2c(F)cccc2Br)c1.
What is the InChIKey of 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide?
The InChIKey is GGXHTJYJBJCXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c14-10-2-1-3-11(15)12(10)18-13(19)7-4-8(16)6-9(17)5-7/h1-6H,16-17H2,(H,18,19).
What are the key properties of 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide?
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide is sourced from PubChem (CID 107596194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).