3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide

C13H9BrClFN2O — CID 107596191

IUPAC3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
SMILESNc1cc(C(=O)Nc2c(F)cccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-8-2-1-3-10(16)12(8)18-13(19)7-4-5-9(15)11(17)6-7/h1-6H,17H2,(H,18,19)
InChIKeyNBOWNXWFABLLIM-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide

3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide (PubChem CID 107596191) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
PubChem CID107596191
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
SMILESNc1cc(C(=O)Nc2c(F)cccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrClFN2O/c14-8-2-1-3-10(16)12(8)18-13(19)7-4-5-9(15)11(17)6-7/h1-6H,17H2,(H,18,19)
InChIKeyNBOWNXWFABLLIM-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide 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

N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
N-(2-amino-4,6-difluorophenyl)-4-bromo-3-chlorobenzamide
CID 81313689
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide (CID 107596191) is 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide is Nc1cc(C(=O)Nc2c(F)cccc2Br)ccc1Cl.
What is the InChIKey of 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide?
The InChIKey is NBOWNXWFABLLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-8-2-1-3-10(16)12(8)18-13(19)7-4-5-9(15)11(17)6-7/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide?
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide has a molecular weight of 343.58 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide is sourced from PubChem (CID 107596191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).