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

C14H19ClN2O2 — CID 114793844

IUPAC2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1CCCN1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-5-13(6-4-11)19-10-14(18)17-9-7-12-2-1-8-16-12/h3-6,12,16H,1-2,7-10H2,(H,17,18)
InChIKeyYJGWTQBYJHRIEK-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.98
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide (PubChem CID 114793844) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
PubChem CID114793844
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1CCCN1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-5-13(6-4-11)19-10-14(18)17-9-7-12-2-1-8-16-12/h3-6,12,16H,1-2,7-10H2,(H,17,18)
InChIKeyYJGWTQBYJHRIEK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]acetamide
CID 104971951
2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955083
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)ethyl]azetidin-3-yl]ethyl]acetamide
CID 137380416
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610766
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
CID 137380578
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
(2S,4R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(2-piperidin-2-ylethyl)bicyclo[3.1.1]heptane-2-carboxamide
CID 167013014
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793681

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide (CID 114793844) is 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide is O=C(COc1ccc(Cl)cc1)NCCC1CCCN1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The InChIKey is YJGWTQBYJHRIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-3-5-13(6-4-11)19-10-14(18)17-9-7-12-2-1-8-16-12/h3-6,12,16H,1-2,7-10H2,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide?
2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.98, 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-2-ylethyl)acetamide is sourced from PubChem (CID 114793844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).