2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide

C19H22BrNO2 — CID 113101145

IUPAC2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(C)c(OCCNC(=O)Cc2cccc(Br)c2)c1C
InChIInChI=1S/C19H22BrNO2/c1-13-7-8-14(2)19(15(13)3)23-10-9-21-18(22)12-16-5-4-6-17(20)11-16/h4-8,11H,9-10,12H2,1-3H3,(H,21,22)
InChIKeyBNKIDJYIYGZFOT-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.11
Rot. Bonds6

About 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide

2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide (PubChem CID 113101145) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
PubChem CID113101145
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(C)c(OCCNC(=O)Cc2cccc(Br)c2)c1C
InChIInChI=1S/C19H22BrNO2/c1-13-7-8-14(2)19(15(13)3)23-10-9-21-18(22)12-16-5-4-6-17(20)11-16/h4-8,11H,9-10,12H2,1-3H3,(H,21,22)
InChIKeyBNKIDJYIYGZFOT-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101115
2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101258
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
CID 113101086
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
1-[2-(3-methoxyphenyl)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974288

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide (CID 113101145) is 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide is Cc1ccc(C)c(OCCNC(=O)Cc2cccc(Br)c2)c1C.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The InChIKey is BNKIDJYIYGZFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-13-7-8-14(2)19(15(13)3)23-10-9-21-18(22)12-16-5-4-6-17(20)11-16/h4-8,11H,9-10,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide has a molecular weight of 376.29 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).