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

C14H10Br2FNO — CID 63529818

IUPAC3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1Br
InChIInChI=1S/C14H10Br2FNO/c1-8-2-3-12(7-13(8)16)18-14(19)9-4-10(15)6-11(17)5-9/h2-7H,1H3,(H,18,19)
InChIKeyGACWYRRFTHXZBU-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.91
Rot. Bonds2

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

3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide (PubChem CID 63529818) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
PubChem CID63529818
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1Br
InChIInChI=1S/C14H10Br2FNO/c1-8-2-3-12(7-13(8)16)18-14(19)9-4-10(15)6-11(17)5-9/h2-7H,1H3,(H,18,19)
InChIKeyGACWYRRFTHXZBU-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

N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
CID 46474246
3-bromo-N-[4-(dimethylamino)-3-methylphenyl]-5-fluorobenzamide
CID 55713089
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide (CID 63529818) is 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide is Cc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide?
The InChIKey is GACWYRRFTHXZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c1-8-2-3-12(7-13(8)16)18-14(19)9-4-10(15)6-11(17)5-9/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide?
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide 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-(3-bromo-4-methylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 63529818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).