N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide

C14H9BrCl2FNO — CID 104724195

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C14H9BrCl2FNO/c1-7-5-8(15)12(6-10(7)17)19-14(20)13-9(16)3-2-4-11(13)18/h2-6H,1H3,(H,19,20)
InChIKeyTVGXZJXQKBSUEU-UHFFFAOYSA-N
MW377.04 g/mol
LogP5.46
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide (PubChem CID 104724195) has the molecular formula C14H9BrCl2FNO and a molecular weight of 377.04 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
PubChem CID104724195
Molecular FormulaC14H9BrCl2FNO
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C14H9BrCl2FNO/c1-7-5-8(15)12(6-10(7)17)19-14(20)13-9(16)3-2-4-11(13)18/h2-6H,1H3,(H,19,20)
InChIKeyTVGXZJXQKBSUEU-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

N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide (CID 104724195) is N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2c(F)cccc2Cl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide?
The InChIKey is TVGXZJXQKBSUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO/c1-7-5-8(15)12(6-10(7)17)19-14(20)13-9(16)3-2-4-11(13)18/h2-6H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide 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 N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 104724195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).