3-(2-aminophenyl)-5-bromo-2-fluorobenzamide

C13H10BrFN2O — CID 142784567

IUPAC3-(2-aminophenyl)-5-bromo-2-fluorobenzamide
SMILESNC(=O)c1cc(Br)cc(-c2ccccc2N)c1F
InChIInChI=1S/C13H10BrFN2O/c14-7-5-9(8-3-1-2-4-11(8)16)12(15)10(6-7)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyJVQMGIWZVAWKDA-UHFFFAOYSA-N
MW309.14 g/mol
LogP2.94
Rot. Bonds2

About 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide

3-(2-aminophenyl)-5-bromo-2-fluorobenzamide (PubChem CID 142784567) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-5-bromo-2-fluorobenzamide
PubChem CID142784567
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name3-(2-aminophenyl)-5-bromo-2-fluorobenzamide
SMILESNC(=O)c1cc(Br)cc(-c2ccccc2N)c1F
InChIInChI=1S/C13H10BrFN2O/c14-7-5-9(8-3-1-2-4-11(8)16)12(15)10(6-7)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyJVQMGIWZVAWKDA-UHFFFAOYSA-N
XLogP2.94
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(2-aminophenyl)benzamide
CID 68784077
2-(2,3,5-tribromophenyl)benzamide
CID 175883829
bis(2-aminobenzamide);platinum(2+)
CID 50912239
methyl 5-bromo-2-fluoro-3-phenylbenzoate
CID 164891347
2-(4-bromophenyl)benzamide
CID 15982087
2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 134617305
2,5-dichloro-3-fluorobenzamide
CID 121228309
2-(2-aminophenyl)benzoyl chloride
CID 54476428
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
2-(4-bromo-3-chloro-2-fluorophenyl)aniline
CID 106763141
2-aminobenzamide;piperazine
CID 174878244

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide?
The IUPAC name of 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide (CID 142784567) is 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide is NC(=O)c1cc(Br)cc(-c2ccccc2N)c1F.
What is the InChIKey of 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide?
The InChIKey is JVQMGIWZVAWKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-7-5-9(8-3-1-2-4-11(8)16)12(15)10(6-7)13(17)18/h1-6H,16H2,(H2,17,18).
What are the key properties of 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide?
3-(2-aminophenyl)-5-bromo-2-fluorobenzamide has a molecular weight of 309.14 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 142784567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).