2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide

C19H22BrNO3 — CID 112821920

IUPAC2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCCN(C(=O)COc1ccccc1Br)C(C)c1cccc(OC)c1
InChIInChI=1S/C19H22BrNO3/c1-4-21(14(2)15-8-7-9-16(12-15)23-3)19(22)13-24-18-11-6-5-10-17(18)20/h5-12,14H,4,13H2,1-3H3
InChIKeyCRRZLRAWCOVKQG-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.45
Rot. Bonds7

About 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide

2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 112821920) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
PubChem CID112821920
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCCN(C(=O)COc1ccccc1Br)C(C)c1cccc(OC)c1
InChIInChI=1S/C19H22BrNO3/c1-4-21(14(2)15-8-7-9-16(12-15)23-3)19(22)13-24-18-11-6-5-10-17(18)20/h5-12,14H,4,13H2,1-3H3
InChIKeyCRRZLRAWCOVKQG-UHFFFAOYSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
CID 94345225
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
3-methoxy-2-[2-[(3-methoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]-2-oxoethoxy]benzoic acid
CID 110160961

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide (CID 112821920) is 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide is CCN(C(=O)COc1ccccc1Br)C(C)c1cccc(OC)c1.
What is the InChIKey of 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is CRRZLRAWCOVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-21(14(2)15-8-7-9-16(12-15)23-3)19(22)13-24-18-11-6-5-10-17(18)20/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide?
2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 112821920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).