N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide

C14H10BrF2NO — CID 82706445

IUPACN-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-2-5-11(15)13(6-8)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19)
InChIKeyGHFYNHWPRQPXBV-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide

N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide (PubChem CID 82706445) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
PubChem CID82706445
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-2-5-11(15)13(6-8)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19)
InChIKeyGHFYNHWPRQPXBV-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
N-(2-bromo-5-iodophenyl)-2,4-difluorobenzamide
CID 113230989
N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104814325
N-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)acetamide
CID 82706549
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
CID 107616577
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide (CID 82706445) is N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide is Cc1ccc(Br)c(NC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide?
The InChIKey is GHFYNHWPRQPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-2-5-11(15)13(6-8)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide?
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide has a molecular weight of 326.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 82706445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).