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

C14H9Br2F2NO — CID 107592505

IUPAC3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H9Br2F2NO/c1-7-2-12(18)11(16)6-13(7)19-14(20)8-3-9(15)5-10(17)4-8/h2-6H,1H3,(H,19,20)
InChIKeyXMGOGDVQJLZBKB-UHFFFAOYSA-N
MW405.04 g/mol
LogP5.05
Rot. Bonds2

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

3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide (PubChem CID 107592505) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
PubChem CID107592505
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC Name3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H9Br2F2NO/c1-7-2-12(18)11(16)6-13(7)19-14(20)8-3-9(15)5-10(17)4-8/h2-6H,1H3,(H,19,20)
InChIKeyXMGOGDVQJLZBKB-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.04
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
CID 46474246
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 104889817
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
CID 107593919
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 107593473
N-(5-bromo-4-fluoro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 103274651

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide (CID 107592505) is 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide is Cc1cc(F)c(Br)cc1NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide?
The InChIKey is XMGOGDVQJLZBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c1-7-2-12(18)11(16)6-13(7)19-14(20)8-3-9(15)5-10(17)4-8/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide?
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide has a molecular weight of 405.04 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 107592505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).