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

C15H13BrFNO — CID 81002497

IUPAC2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C15H13BrFNO/c1-9-6-7-12(16)11(8-9)15(19)18-14-5-3-4-13(17)10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyLQRHSBGKMWVCSE-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

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

2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide (PubChem CID 81002497) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
PubChem CID81002497
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C15H13BrFNO/c1-9-6-7-12(16)11(8-9)15(19)18-14-5-3-4-13(17)10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyLQRHSBGKMWVCSE-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

3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
2-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81008344
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-fluoro-N-(3-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 64794363
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
2-bromo-N-[2-(1-chloroethyl)phenyl]-5-methylbenzamide
CID 114304970

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide (CID 81002497) is 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2cccc(F)c2C)c1.
What is the InChIKey of 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide?
The InChIKey is LQRHSBGKMWVCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-6-7-12(16)11(8-9)15(19)18-14-5-3-4-13(17)10(14)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide?
2-bromo-N-(3-fluoro-2-methylphenyl)-5-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 2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide is sourced from PubChem (CID 81002497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).