2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide

C17H18BrNO — CID 100698808

IUPAC2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-3-14-8-4-6-12(2)17(14)19-16(20)11-13-7-5-9-15(18)10-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyJOLBZYLMLMPBKR-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.50
Rot. Bonds4

About 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 100698808) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID100698808
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-3-14-8-4-6-12(2)17(14)19-16(20)11-13-7-5-9-15(18)10-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyJOLBZYLMLMPBKR-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 30546775
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 100698808) is 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is JOLBZYLMLMPBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-14-8-4-6-12(2)17(14)19-16(20)11-13-7-5-9-15(18)10-13/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 332.24 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 100698808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).