2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide

C13H7BrClF2NO — CID 113257211

IUPAC2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrClF2NO/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,(H,18,19)
InChIKeySRVABIHZHYREFC-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.63
Rot. Bonds2

About 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide

2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide (PubChem CID 113257211) has the molecular formula C13H7BrClF2NO and a molecular weight of 346.56 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
PubChem CID113257211
Molecular FormulaC13H7BrClF2NO
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC Name2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrClF2NO/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,(H,18,19)
InChIKeySRVABIHZHYREFC-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide
CID 107986345
N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide
CID 107986320
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
N-(2-bromo-6-fluorophenyl)-5-chloro-2-(ethylamino)benzamide
CID 107603353
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
5-chloro-N-(2,6-difluorophenyl)-2-(ethylamino)benzamide
CID 62165442
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide (CID 113257211) is 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide is O=C(Nc1c(F)cccc1F)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide?
The InChIKey is SRVABIHZHYREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO/c14-9-6-7(15)4-5-8(9)13(19)18-12-10(16)2-1-3-11(12)17/h1-6H,(H,18,19).
What are the key properties of 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide?
2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide has a molecular weight of 346.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide is sourced from PubChem (CID 113257211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).