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

C13H9BrClFN2O — CID 107986345

IUPACN-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide
SMILESNc1cccc(F)c1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyDWLMOVUOBSDTLF-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

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

N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide (PubChem CID 107986345) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide
PubChem CID107986345
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide
SMILESNc1cccc(F)c1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyDWLMOVUOBSDTLF-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'}

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Related Compounds

2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
CID 113257211
N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide
CID 107986320
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959517
N-(2-amino-6-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81314667
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide (CID 107986345) is N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide is Nc1cccc(F)c1NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide?
The InChIKey is DWLMOVUOBSDTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,17H2,(H,18,19).
What are the key properties of N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide?
N-(2-amino-6-fluorophenyl)-2-bromo-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 N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 107986345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).