N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide

C17H18BrNO3 — CID 78760781

IUPACN-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO3/c1-12(13-6-8-14(18)9-7-13)19-17(20)11-22-16-5-3-4-15(10-16)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyRJOHJQWXLBOGLQ-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.71
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 78760781) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID78760781
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO3/c1-12(13-6-8-14(18)9-7-13)19-17(20)11-22-16-5-3-4-15(10-16)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyRJOHJQWXLBOGLQ-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 55680949
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 99133008
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652877
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide (CID 78760781) is N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is RJOHJQWXLBOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-12(13-6-8-14(18)9-7-13)19-17(20)11-22-16-5-3-4-15(10-16)21-2/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 78760781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).