5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide

C17H18BrNO — CID 65311896

IUPAC5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C17H18BrNO/c1-11-6-4-5-7-15(11)13(3)19-17(20)16-10-14(18)9-8-12(16)2/h4-10,13H,1-3H3,(H,19,20)
InChIKeyHDGNUKZZRRFNOM-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.56
Rot. Bonds3

About 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide

5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 65311896) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID65311896
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C17H18BrNO/c1-11-6-4-5-7-15(11)13(3)19-17(20)16-10-14(18)9-8-12(16)2/h4-10,13H,1-3H3,(H,19,20)
InChIKeyHDGNUKZZRRFNOM-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
CID 43037445
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbenzamide
CID 65306853
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide (CID 65311896) is 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide is Cc1ccc(Br)cc1C(=O)NC(C)c1ccccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is HDGNUKZZRRFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-6-4-5-7-15(11)13(3)19-17(20)16-10-14(18)9-8-12(16)2/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 65311896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).