5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide

C13H8Br2F2N2O — CID 62814551

IUPAC5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2cc(Br)ccc2F)c(Br)cc1F
InChIInChI=1S/C13H8Br2F2N2O/c14-6-1-2-9(16)12(3-6)19-13(20)7-4-11(18)10(17)5-8(7)15/h1-5H,18H2,(H,19,20)
InChIKeyZOBFUAANDUQWCD-UHFFFAOYSA-N
MW406.02 g/mol
LogP4.32
Rot. Bonds2

About 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide

5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide (PubChem CID 62814551) has the molecular formula C13H8Br2F2N2O and a molecular weight of 406.02 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
PubChem CID62814551
Molecular FormulaC13H8Br2F2N2O
Molecular Weight406.02 g/mol
Exact Mass403.90
IUPAC Name5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2cc(Br)ccc2F)c(Br)cc1F
InChIInChI=1S/C13H8Br2F2N2O/c14-6-1-2-9(16)12(3-6)19-13(20)7-4-11(18)10(17)5-8(7)15/h1-5H,18H2,(H,19,20)
InChIKeyZOBFUAANDUQWCD-UHFFFAOYSA-N
XLogP4.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 54.32
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-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729211
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
CID 61090845
N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
CID 43549821
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
CID 43549777
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide (CID 62814551) is 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2cc(Br)ccc2F)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide?
The InChIKey is ZOBFUAANDUQWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2N2O/c14-6-1-2-9(16)12(3-6)19-13(20)7-4-11(18)10(17)5-8(7)15/h1-5H,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide has a molecular weight of 406.02 g/mol, XLogP of 4.32, 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-(5-bromo-2-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 62814551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).