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

C14H10BrClFNO — CID 9192644

IUPAC2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrClFNO/c1-8-2-3-9(16)6-13(8)18-14(19)11-5-4-10(17)7-12(11)15/h2-7H,1H3,(H,18,19)
InChIKeyIBQQXCOEFCRSEO-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

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

2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide (PubChem CID 9192644) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
PubChem CID9192644
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrClFNO/c1-8-2-3-9(16)6-13(8)18-14(19)11-5-4-10(17)7-12(11)15/h2-7H,1H3,(H,18,19)
InChIKeyIBQQXCOEFCRSEO-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
CID 115745652

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide (CID 9192644) is 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide?
The InChIKey is IBQQXCOEFCRSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-2-3-9(16)6-13(8)18-14(19)11-5-4-10(17)7-12(11)15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide?
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 9192644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).