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

C15H13BrFNO — CID 60705568

IUPACN-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H13BrFNO/c1-9-3-5-12(17)8-13(9)15(19)18-14-6-4-11(16)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyQSIONSJHWTXPQF-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide (PubChem CID 60705568) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
PubChem CID60705568
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H13BrFNO/c1-9-3-5-12(17)8-13(9)15(19)18-14-6-4-11(16)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyQSIONSJHWTXPQF-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide (CID 60705568) is N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide is Cc1cc(Br)ccc1NC(=O)c1cc(F)ccc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide?
The InChIKey is QSIONSJHWTXPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-3-5-12(17)8-13(9)15(19)18-14-6-4-11(16)7-10(14)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide?
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 60705568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).