2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide

C17H17BrFNO3 — CID 146022701

IUPAC2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2cccc(Br)c2F)c1
InChIInChI=1S/C17H17BrFNO3/c1-22-13-5-3-6-14(11-13)23-9-8-20-16(21)10-12-4-2-7-15(18)17(12)19/h2-7,11H,8-10H2,1H3,(H,20,21)
InChIKeyQXXJESBTWISOGO-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.33
Rot. Bonds7

About 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide

2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide (PubChem CID 146022701) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
PubChem CID146022701
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Name2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2cccc(Br)c2F)c1
InChIInChI=1S/C17H17BrFNO3/c1-22-13-5-3-6-14(11-13)23-9-8-20-16(21)10-12-4-2-7-15(18)17(12)19/h2-7,11H,8-10H2,1H3,(H,20,21)
InChIKeyQXXJESBTWISOGO-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 46449388
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide (CID 146022701) is 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide is COc1cccc(OCCNC(=O)Cc2cccc(Br)c2F)c1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
The InChIKey is QXXJESBTWISOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-22-13-5-3-6-14(11-13)23-9-8-20-16(21)10-12-4-2-7-15(18)17(12)19/h2-7,11H,8-10H2,1H3,(H,20,21).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide has a molecular weight of 382.23 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 146022701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).