2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide

C14H9BrCl2FNO — CID 107982593

IUPAC2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1Br
InChIInChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)15)14(20)19-13-10(16)5-8(18)6-11(13)17/h2-6H,1H3,(H,19,20)
InChIKeyKRSJCFQSLMYVFG-UHFFFAOYSA-N
MW377.04 g/mol
LogP5.46
Rot. Bonds2

About 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide

2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide (PubChem CID 107982593) has the molecular formula C14H9BrCl2FNO and a molecular weight of 377.04 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
PubChem CID107982593
Molecular FormulaC14H9BrCl2FNO
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC Name2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1Br
InChIInChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)15)14(20)19-13-10(16)5-8(18)6-11(13)17/h2-6H,1H3,(H,19,20)
InChIKeyKRSJCFQSLMYVFG-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.04
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide
CID 114074346
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide (CID 107982593) is 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1Br.
What is the InChIKey of 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide?
The InChIKey is KRSJCFQSLMYVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)15)14(20)19-13-10(16)5-8(18)6-11(13)17/h2-6H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide?
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide has a molecular weight of 377.04 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 107982593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).