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

C20H24BrN2O2+ — CID 8799066

IUPAC2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1
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)/p+1/t19-/m0/s1
InChIKeyCJUVHPDRJSEUJF-IBGZPJMESA-O
MW404.33 g/mol
LogP2.36
Rot. Bonds7

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

2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide (PubChem CID 8799066) has the molecular formula C20H24BrN2O2+ and a molecular weight of 404.33 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
PubChem CID8799066
Molecular FormulaC20H24BrN2O2+
Molecular Weight404.33 g/mol
Exact Mass403.10
IUPAC Name2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1
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)/p+1/t19-/m0/s1
InChIKeyCJUVHPDRJSEUJF-IBGZPJMESA-O
XLogP2.36
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 7594380
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 7594382
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799067
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 7496544
[(1R)-2-[[2-(4-bromophenoxy)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 2110509
2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 7972555
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(4-propanoylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide
CID 8799674
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 7496943
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide (CID 8799066) is 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide is O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The InChIKey is CJUVHPDRJSEUJF-IBGZPJMESA-O. 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)/p+1/t19-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide has a molecular weight of 404.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide is sourced from PubChem (CID 8799066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).