2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C19H23BrN2O3 — CID 26834661

IUPAC2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)o1
InChIInChI=1S/C19H23BrN2O3/c1-14-4-9-18(25-14)17(22-10-2-3-11-22)12-21-19(23)13-24-16-7-5-15(20)6-8-16/h4-9,17H,2-3,10-13H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyGTOLJQIQJYCRNP-QGZVFWFLSA-N
MW407.31 g/mol
LogP3.68
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 26834661) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID26834661
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC Name2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)o1
InChIInChI=1S/C19H23BrN2O3/c1-14-4-9-18(25-14)17(22-10-2-3-11-22)12-21-19(23)13-24-16-7-5-15(20)6-8-16/h4-9,17H,2-3,10-13H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyGTOLJQIQJYCRNP-QGZVFWFLSA-N
XLogP3.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 26834779
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834699
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799067
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
2-(4-chloro-3-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052575
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 26834791
2-(4-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164114
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32707918

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 26834661) is 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)o1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is GTOLJQIQJYCRNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c1-14-4-9-18(25-14)17(22-10-2-3-11-22)12-21-19(23)13-24-16-7-5-15(20)6-8-16/h4-9,17H,2-3,10-13H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 407.31 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 26834661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).