N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide

C15H12BrF2NO — CID 86963073

IUPACN-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
SMILESCc1cc(N(C)C(=O)c2cc(F)ccc2F)ccc1Br
InChIInChI=1S/C15H12BrF2NO/c1-9-7-11(4-5-13(9)16)19(2)15(20)12-8-10(17)3-6-14(12)18/h3-8H,1-2H3
InChIKeyXHUAXJZSAFGGGP-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.31
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide

N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide (PubChem CID 86963073) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
PubChem CID86963073
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
SMILESCc1cc(N(C)C(=O)c2cc(F)ccc2F)ccc1Br
InChIInChI=1S/C15H12BrF2NO/c1-9-7-11(4-5-13(9)16)19(2)15(20)12-8-10(17)3-6-14(12)18/h3-8H,1-2H3
InChIKeyXHUAXJZSAFGGGP-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
CID 86963141
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
CID 107027600
2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739035
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545
N-(4-bromo-3-methylphenyl)-N,2-dimethyl-4-nitrobenzamide
CID 86963083
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide (CID 86963073) is N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide is Cc1cc(N(C)C(=O)c2cc(F)ccc2F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide?
The InChIKey is XHUAXJZSAFGGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-9-7-11(4-5-13(9)16)19(2)15(20)12-8-10(17)3-6-14(12)18/h3-8H,1-2H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide?
N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide has a molecular weight of 340.17 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 86963073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).