N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide

C15H12BrClFNO — CID 104723148

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-8-5-10(18)3-4-11(8)15(20)19-14-7-13(17)9(2)6-12(14)16/h3-7H,1-2H3,(H,19,20)
InChIKeyFITDNHDOAOQKCI-UHFFFAOYSA-N
MW356.62 g/mol
LogP5.11
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide

N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide (PubChem CID 104723148) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide
PubChem CID104723148
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-8-5-10(18)3-4-11(8)15(20)19-14-7-13(17)9(2)6-12(14)16/h3-7H,1-2H3,(H,19,20)
InChIKeyFITDNHDOAOQKCI-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide (CID 104723148) is N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide is Cc1cc(Br)c(NC(=O)c2ccc(F)cc2C)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide?
The InChIKey is FITDNHDOAOQKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-8-5-10(18)3-4-11(8)15(20)19-14-7-13(17)9(2)6-12(14)16/h3-7H,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide?
N-(2-bromo-5-chloro-4-methylphenyl)-4-fluoro-2-methylbenzamide has a molecular weight of 356.62 g/mol, XLogP of 5.11, 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)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 104723148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).