2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide

C15H12Br2FNO2 — CID 103274988

IUPAC2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(Br)c(F)cc2C)c1
InChIInChI=1S/C15H12Br2FNO2/c1-8-5-13(18)12(17)7-14(8)19-15(20)10-6-9(21-2)3-4-11(10)16/h3-7H,1-2H3,(H,19,20)
InChIKeyOIUHVOHVXILKLZ-UHFFFAOYSA-N
MW417.07 g/mol
LogP4.92
Rot. Bonds3

About 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide (PubChem CID 103274988) has the molecular formula C15H12Br2FNO2 and a molecular weight of 417.07 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
PubChem CID103274988
Molecular FormulaC15H12Br2FNO2
Molecular Weight417.07 g/mol
Exact Mass414.92
IUPAC Name2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(Br)c(F)cc2C)c1
InChIInChI=1S/C15H12Br2FNO2/c1-8-5-13(18)12(17)7-14(8)19-15(20)10-6-9(21-2)3-4-11(10)16/h3-7H,1-2H3,(H,19,20)
InChIKeyOIUHVOHVXILKLZ-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
N-(5-bromo-4-fluoro-2-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 103278127
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 43580467
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea
CID 103269220
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide (CID 103274988) is 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cc(Br)c(F)cc2C)c1.
What is the InChIKey of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide?
The InChIKey is OIUHVOHVXILKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO2/c1-8-5-13(18)12(17)7-14(8)19-15(20)10-6-9(21-2)3-4-11(10)16/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide?
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide has a molecular weight of 417.07 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide is sourced from PubChem (CID 103274988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).