3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide

C17H18BrNO3 — CID 26776021

IUPAC3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO3/c1-21-16-8-3-2-5-13(16)12-19-17(20)9-10-22-15-7-4-6-14(18)11-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyPLKJUGFUWNEBHA-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.54
Rot. Bonds7

About 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide

3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 26776021) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID26776021
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO3/c1-21-16-8-3-2-5-13(16)12-19-17(20)9-10-22-15-7-4-6-14(18)11-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyPLKJUGFUWNEBHA-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946963
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate
CID 8887137
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
CID 61401540
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 55588021
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
N-[(3-bromophenyl)methyl]-3-(3,4-dimethylphenoxy)propanamide
CID 52570793

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide (CID 26776021) is 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is PLKJUGFUWNEBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-21-16-8-3-2-5-13(16)12-19-17(20)9-10-22-15-7-4-6-14(18)11-15/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 364.24 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 26776021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).