N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide

C15H13BrFNO — CID 107573361

IUPACN-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)cc(C)c1Br
InChIInChI=1S/C15H13BrFNO/c1-9-7-13(8-10(2)14(9)16)18-15(19)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19)
InChIKeyBWGHTSNMFUUPQG-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide

N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide (PubChem CID 107573361) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
PubChem CID107573361
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)cc(C)c1Br
InChIInChI=1S/C15H13BrFNO/c1-9-7-13(8-10(2)14(9)16)18-15(19)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19)
InChIKeyBWGHTSNMFUUPQG-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
CID 107574997
4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide
CID 5241422
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
CID 3457663
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide (CID 107573361) is N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide is Cc1cc(NC(=O)c2ccc(F)cc2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide?
The InChIKey is BWGHTSNMFUUPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-7-13(8-10(2)14(9)16)18-15(19)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide?
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 107573361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).