5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide

C14H10Br3FN2O — CID 62815412

IUPAC5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(F)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br3FN2O/c1-6-2-9(16)13(10(17)3-6)20-14(21)7-4-12(19)11(18)5-8(7)15/h2-5H,19H2,1H3,(H,20,21)
InChIKeyATCNHZXUDXHSFW-UHFFFAOYSA-N
MW480.96 g/mol
LogP5.26
Rot. Bonds2

About 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide

5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide (PubChem CID 62815412) has the molecular formula C14H10Br3FN2O and a molecular weight of 480.96 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
PubChem CID62815412
Molecular FormulaC14H10Br3FN2O
Molecular Weight480.96 g/mol
Exact Mass477.83
IUPAC Name5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(F)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br3FN2O/c1-6-2-9(16)13(10(17)3-6)20-14(21)7-4-12(19)11(18)5-8(7)15/h2-5H,19H2,1H3,(H,20,21)
InChIKeyATCNHZXUDXHSFW-UHFFFAOYSA-N
XLogP5.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 55.26
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-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
5-amino-2-bromo-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62831072
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62815928
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide (CID 62815412) is 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2cc(N)c(F)cc2Br)c(Br)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide?
The InChIKey is ATCNHZXUDXHSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3FN2O/c1-6-2-9(16)13(10(17)3-6)20-14(21)7-4-12(19)11(18)5-8(7)15/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide has a molecular weight of 480.96 g/mol, XLogP of 5.26, 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-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 62815412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).