2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C20H23BrN2O2 — CID 8799067

IUPAC2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C20H23BrN2O2/c21-17-8-10-18(11-9-17)25-15-20(24)22-14-19(23-12-4-5-13-23)16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15H2,(H,22,24)/t19-/m0/s1
InChIKeyCJUVHPDRJSEUJF-IBGZPJMESA-N
MW403.32 g/mol
LogP3.78
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 8799067) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID8799067
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C20H23BrN2O2/c21-17-8-10-18(11-9-17)25-15-20(24)22-14-19(23-12-4-5-13-23)16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15H2,(H,22,24)/t19-/m0/s1
InChIKeyCJUVHPDRJSEUJF-IBGZPJMESA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383
2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834661
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 8799067) is 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide is O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is CJUVHPDRJSEUJF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23BrN2O2/c21-17-8-10-18(11-9-17)25-15-20(24)22-14-19(23-12-4-5-13-23)16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15H2,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 403.32 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 8799067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).