3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide

C14H10Br2FNO — CID 113461585

IUPAC3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(F)cccc2Br)c1
InChIInChI=1S/C14H10Br2FNO/c1-8-5-9(7-10(15)6-8)14(19)18-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyWONIFELUQHRLRF-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.91
Rot. Bonds2

About 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide

3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide (PubChem CID 113461585) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
PubChem CID113461585
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(F)cccc2Br)c1
InChIInChI=1S/C14H10Br2FNO/c1-8-5-9(7-10(15)6-8)14(19)18-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyWONIFELUQHRLRF-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
CID 107603351
3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
CID 107596142
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide (CID 113461585) is 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2c(F)cccc2Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide?
The InChIKey is WONIFELUQHRLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c1-8-5-9(7-10(15)6-8)14(19)18-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide?
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide has a molecular weight of 387.05 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide is sourced from PubChem (CID 113461585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).