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

C18H20BrNO4 — CID 113101961

IUPAC2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2ccc(Br)cc2)c1OC
InChIInChI=1S/C18H20BrNO4/c1-22-15-4-3-5-16(18(15)23-2)24-11-10-20-17(21)12-13-6-8-14(19)9-7-13/h3-9H,10-12H2,1-2H3,(H,20,21)
InChIKeyRAXKTKYOEWLMFD-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.20
Rot. Bonds8

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

2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide (PubChem CID 113101961) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
PubChem CID113101961
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2ccc(Br)cc2)c1OC
InChIInChI=1S/C18H20BrNO4/c1-22-15-4-3-5-16(18(15)23-2)24-11-10-20-17(21)12-13-6-8-14(19)9-7-13/h3-9H,10-12H2,1-2H3,(H,20,21)
InChIKeyRAXKTKYOEWLMFD-UHFFFAOYSA-N
XLogP3.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 113100170
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide (CID 113101961) is 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide is COc1cccc(OCCNC(=O)Cc2ccc(Br)cc2)c1OC.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide?
The InChIKey is RAXKTKYOEWLMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-22-15-4-3-5-16(18(15)23-2)24-11-10-20-17(21)12-13-6-8-14(19)9-7-13/h3-9H,10-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide has a molecular weight of 394.27 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).