2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

C14H19ClN2O2 — CID 63624340

IUPAC2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1CCNC1
InChIInChI=1S/C14H19ClN2O2/c15-12-1-3-13(4-2-12)19-10-14(18)17-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeyXWAMFPHGYXKQMN-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.83
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 63624340) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID63624340
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1CCNC1
InChIInChI=1S/C14H19ClN2O2/c15-12-1-3-13(4-2-12)19-10-14(18)17-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeyXWAMFPHGYXKQMN-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793844
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
CID 137380578
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 63624340) is 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(COc1ccc(Cl)cc1)NCCC1CCNC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is XWAMFPHGYXKQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-1-3-13(4-2-12)19-10-14(18)17-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 63624340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).