2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide

C19H22BrNO2 — CID 113101258

IUPAC2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)c(OCCNC(=O)Cc2cccc(Br)c2)cc1C
InChIInChI=1S/C19H22BrNO2/c1-13-9-15(3)18(10-14(13)2)23-8-7-21-19(22)12-16-5-4-6-17(20)11-16/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyDMJNADMZSKPHGI-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.11
Rot. Bonds6

About 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide

2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide (PubChem CID 113101258) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
PubChem CID113101258
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)c(OCCNC(=O)Cc2cccc(Br)c2)cc1C
InChIInChI=1S/C19H22BrNO2/c1-13-9-15(3)18(10-14(13)2)23-8-7-21-19(22)12-16-5-4-6-17(20)11-16/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyDMJNADMZSKPHGI-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-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101145
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
N-[2-[[2-(3-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935128
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide (CID 113101258) is 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide is Cc1cc(C)c(OCCNC(=O)Cc2cccc(Br)c2)cc1C.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
The InChIKey is DMJNADMZSKPHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-13-9-15(3)18(10-14(13)2)23-8-7-21-19(22)12-16-5-4-6-17(20)11-16/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-(2,4,5-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-(2,4,5-trimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).