2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide

C14H19ClN2O2 — CID 104955083

IUPAC2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCC[C@@H]1CCCN1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-1-5-13(9-11)19-10-14(18)17-8-6-12-4-2-7-16-12/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)/t12-/m0/s1
InChIKeyCNQAMZLMYDVJGN-LBPRGKRZSA-N
MW282.77 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide

2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide (PubChem CID 104955083) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
PubChem CID104955083
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCC[C@@H]1CCCN1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-1-5-13(9-11)19-10-14(18)17-8-6-12-4-2-7-16-12/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)/t12-/m0/s1
InChIKeyCNQAMZLMYDVJGN-LBPRGKRZSA-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-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793844
2-phenoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]acetamide
CID 104971951
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486794
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-[2-(3-chlorophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807141
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
3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
CID 104971869
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793681

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide (CID 104955083) is 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide is O=C(COc1cccc(Cl)c1)NCC[C@@H]1CCCN1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The InChIKey is CNQAMZLMYDVJGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-3-1-5-13(9-11)19-10-14(18)17-8-6-12-4-2-7-16-12/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
2-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]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-(3-chlorophenoxy)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 104955083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).