2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide

C13H7BrCl2FNO — CID 60667247

IUPAC2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C13H7BrCl2FNO/c14-9-5-4-7(17)6-8(9)13(19)18-12-10(15)2-1-3-11(12)16/h1-6H,(H,18,19)
InChIKeyJPEPMUUSGRXDJD-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide

2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide (PubChem CID 60667247) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
PubChem CID60667247
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC Name2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C13H7BrCl2FNO/c14-9-5-4-7(17)6-8(9)13(19)18-12-10(15)2-1-3-11(12)16/h1-6H,(H,18,19)
InChIKeyJPEPMUUSGRXDJD-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
CID 16774955
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
CID 63524397
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide (CID 60667247) is 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide is O=C(Nc1c(Cl)cccc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide?
The InChIKey is JPEPMUUSGRXDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-9-5-4-7(17)6-8(9)13(19)18-12-10(15)2-1-3-11(12)16/h1-6H,(H,18,19).
What are the key properties of 2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide?
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide has a molecular weight of 363.01 g/mol, XLogP of 5.15, 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-dichlorophenyl)-5-fluorobenzamide is sourced from PubChem (CID 60667247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).