4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide

C14H9Br2ClFNO — CID 104723980

IUPAC4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(Br)c(F)c2)cc1Cl
InChIInChI=1S/C14H9Br2ClFNO/c1-7-4-10(16)13(6-11(7)17)19-14(20)8-2-3-9(15)12(18)5-8/h2-6H,1H3,(H,19,20)
InChIKeyGTAHMUMYGQFMCY-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.56
Rot. Bonds2

About 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide

4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide (PubChem CID 104723980) has the molecular formula C14H9Br2ClFNO and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
PubChem CID104723980
Molecular FormulaC14H9Br2ClFNO
Molecular Weight421.49 g/mol
Exact Mass418.87
IUPAC Name4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(Br)c(F)c2)cc1Cl
InChIInChI=1S/C14H9Br2ClFNO/c1-7-4-10(16)13(6-11(7)17)19-14(20)8-2-3-9(15)12(18)5-8/h2-6H,1H3,(H,19,20)
InChIKeyGTAHMUMYGQFMCY-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)-3-fluoro-4-methylbenzamide
CID 104724099
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide (CID 104723980) is 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2ccc(Br)c(F)c2)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide?
The InChIKey is GTAHMUMYGQFMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClFNO/c1-7-4-10(16)13(6-11(7)17)19-14(20)8-2-3-9(15)12(18)5-8/h2-6H,1H3,(H,19,20).
What are the key properties of 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide?
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-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 4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 104723980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).