3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide

C18H20BrNO3 — CID 55831044

IUPAC3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
SMILESCOc1cccc(OCCNC(=O)CCc2ccccc2Br)c1
InChIInChI=1S/C18H20BrNO3/c1-22-15-6-4-7-16(13-15)23-12-11-20-18(21)10-9-14-5-2-3-8-17(14)19/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyBHHGDBVKFKVHFN-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.59
Rot. Bonds8

About 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide

3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide (PubChem CID 55831044) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
PubChem CID55831044
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
SMILESCOc1cccc(OCCNC(=O)CCc2ccccc2Br)c1
InChIInChI=1S/C18H20BrNO3/c1-22-15-6-4-7-16(13-15)23-12-11-20-18(21)10-9-14-5-2-3-8-17(14)19/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyBHHGDBVKFKVHFN-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.59
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

2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 146022701
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 28713819
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 46449388
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide (CID 55831044) is 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide is COc1cccc(OCCNC(=O)CCc2ccccc2Br)c1.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
The InChIKey is BHHGDBVKFKVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-22-15-6-4-7-16(13-15)23-12-11-20-18(21)10-9-14-5-2-3-8-17(14)19/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide has a molecular weight of 378.27 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 55831044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).