5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide

C13H8Br2ClFN2O — CID 107608774

IUPAC5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
SMILESNc1ccc(Br)c(C(=O)Nc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C13H8Br2ClFN2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(15)3-6(17)4-11(12)16/h1-5H,18H2,(H,19,20)
InChIKeyPQBIUZOONSNZPL-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.84
Rot. Bonds2

About 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide

5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide (PubChem CID 107608774) has the molecular formula C13H8Br2ClFN2O and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
PubChem CID107608774
Molecular FormulaC13H8Br2ClFN2O
Molecular Weight422.48 g/mol
Exact Mass419.87
IUPAC Name5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
SMILESNc1ccc(Br)c(C(=O)Nc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C13H8Br2ClFN2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(15)3-6(17)4-11(12)16/h1-5H,18H2,(H,19,20)
InChIKeyPQBIUZOONSNZPL-UHFFFAOYSA-N
XLogP4.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.84
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

5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
CID 82889504
N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
CID 16774955
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731622
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide (CID 107608774) is 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide is Nc1ccc(Br)c(C(=O)Nc2c(Cl)cc(F)cc2Br)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide?
The InChIKey is PQBIUZOONSNZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClFN2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(15)3-6(17)4-11(12)16/h1-5H,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide?
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide has a molecular weight of 422.48 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 107608774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).