2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide

C16H15BrFNO — CID 80978985

IUPAC2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-10-3-6-14(17)13(7-10)16(20)19-9-12-5-4-11(2)15(18)8-12/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyZAJNOKKXOCHNEW-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.14
Rot. Bonds3

About 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide

2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide (PubChem CID 80978985) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
PubChem CID80978985
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-10-3-6-14(17)13(7-10)16(20)19-9-12-5-4-11(2)15(18)8-12/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyZAJNOKKXOCHNEW-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
2-bromo-N-[[3-(chloromethyl)phenyl]methyl]-5-methylbenzamide
CID 114302504
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide (CID 80978985) is 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCc2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide?
The InChIKey is ZAJNOKKXOCHNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10-3-6-14(17)13(7-10)16(20)19-9-12-5-4-11(2)15(18)8-12/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide?
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.14, 3 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-4-methylphenyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 80978985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).