5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide

C14H10Br2ClFN2O — CID 104722210

IUPAC5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(F)cc2Br)cc1Cl
InChIInChI=1S/C14H10Br2ClFN2O/c1-6-2-9(16)13(5-10(6)17)20-14(21)7-3-12(19)11(18)4-8(7)15/h2-5H,19H2,1H3,(H,20,21)
InChIKeyVQGQIRAONWHHKX-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.15
Rot. Bonds2

About 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide

5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide (PubChem CID 104722210) has the molecular formula C14H10Br2ClFN2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
PubChem CID104722210
Molecular FormulaC14H10Br2ClFN2O
Molecular Weight436.51 g/mol
Exact Mass433.88
IUPAC Name5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(F)cc2Br)cc1Cl
InChIInChI=1S/C14H10Br2ClFN2O/c1-6-2-9(16)13(5-10(6)17)20-14(21)7-3-12(19)11(18)4-8(7)15/h2-5H,19H2,1H3,(H,20,21)
InChIKeyVQGQIRAONWHHKX-UHFFFAOYSA-N
XLogP5.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.15
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-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide (CID 104722210) is 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2cc(N)c(F)cc2Br)cc1Cl.
What is the InChIKey of 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide?
The InChIKey is VQGQIRAONWHHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFN2O/c1-6-2-9(16)13(5-10(6)17)20-14(21)7-3-12(19)11(18)4-8(7)15/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide has a molecular weight of 436.51 g/mol, XLogP of 5.15, 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-5-chloro-4-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 104722210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).