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

C14H9Br2ClFNO — CID 104724173

IUPAC2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(F)ccc2Br)cc1Cl
InChIInChI=1S/C14H9Br2ClFNO/c1-7-4-11(16)13(6-12(7)17)19-14(20)9-5-8(18)2-3-10(9)15/h2-6H,1H3,(H,19,20)
InChIKeyQEZJNPXOZMGYBJ-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.56
Rot. Bonds2

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

2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide (PubChem CID 104724173) has the molecular formula C14H9Br2ClFNO and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
PubChem CID104724173
Molecular FormulaC14H9Br2ClFNO
Molecular Weight421.49 g/mol
Exact Mass418.87
IUPAC Name2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(F)ccc2Br)cc1Cl
InChIInChI=1S/C14H9Br2ClFNO/c1-7-4-11(16)13(6-12(7)17)19-14(20)9-5-8(18)2-3-10(9)15/h2-6H,1H3,(H,19,20)
InChIKeyQEZJNPXOZMGYBJ-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide (CID 104724173) is 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2cc(F)ccc2Br)cc1Cl.
What is the InChIKey of 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
The InChIKey is QEZJNPXOZMGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClFNO/c1-7-4-11(16)13(6-12(7)17)19-14(20)9-5-8(18)2-3-10(9)15/h2-6H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide has a molecular weight of 421.49 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 104724173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).