2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide

C14H10Br2FNO — CID 113345345

IUPAC2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H10Br2FNO/c1-8-4-10(17)7-11(5-8)18-14(19)12-3-2-9(15)6-13(12)16/h2-7H,1H3,(H,18,19)
InChIKeyOVZGTPZMIVFGAJ-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.91
Rot. Bonds2

About 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide

2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide (PubChem CID 113345345) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
PubChem CID113345345
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H10Br2FNO/c1-8-4-10(17)7-11(5-8)18-14(19)12-3-2-9(15)6-13(12)16/h2-7H,1H3,(H,18,19)
InChIKeyOVZGTPZMIVFGAJ-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

4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide (CID 113345345) is 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide is Cc1cc(F)cc(NC(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide?
The InChIKey is OVZGTPZMIVFGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c1-8-4-10(17)7-11(5-8)18-14(19)12-3-2-9(15)6-13(12)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide?
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide 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 2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 113345345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).