3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide

C17H18BrNO — CID 4936095

IUPAC3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H18BrNO/c1-4-13-7-5-6-12(3)16(13)19-17(20)14-9-8-11(2)15(18)10-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyZLRQRNLBHDVZKS-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.88
Rot. Bonds3

About 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide

3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide (PubChem CID 4936095) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
PubChem CID4936095
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H18BrNO/c1-4-13-7-5-6-12(3)16(13)19-17(20)14-9-8-11(2)15(18)10-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyZLRQRNLBHDVZKS-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 61090453
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N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
3-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 110295898
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 24697035
N-(2-ethyl-6-methylphenyl)-1H-indole-6-carboxamide
CID 60773719
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide (CID 4936095) is 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide is CCc1cccc(C)c1NC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide?
The InChIKey is ZLRQRNLBHDVZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-4-13-7-5-6-12(3)16(13)19-17(20)14-9-8-11(2)15(18)10-14/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide?
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 4936095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).