N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide

C15H12BrClFNO — CID 104724099

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)cc1F
InChIInChI=1S/C15H12BrClFNO/c1-8-3-4-10(6-13(8)18)15(20)19-14-7-12(17)9(2)5-11(14)16/h3-7H,1-2H3,(H,19,20)
InChIKeyAIPLRPDPAANFDR-UHFFFAOYSA-N
MW356.62 g/mol
LogP5.11
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide (PubChem CID 104724099) 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)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
PubChem CID104724099
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)cc1F
InChIInChI=1S/C15H12BrClFNO/c1-8-3-4-10(6-13(8)18)15(20)19-14-7-12(17)9(2)5-11(14)16/h3-7H,1-2H3,(H,19,20)
InChIKeyAIPLRPDPAANFDR-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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Related Compounds

4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide (CID 104724099) is N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)cc1F.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is AIPLRPDPAANFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-8-3-4-10(6-13(8)18)15(20)19-14-7-12(17)9(2)5-11(14)16/h3-7H,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-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)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 104724099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).