N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride

C13H19ClN2O2 — CID 67804532

IUPACN-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10(16)15-11-4-2-6-13(8-11)17-9-12-5-3-7-14-12;/h2,4,6,8,12,14H,3,5,7,9H2,1H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyFHBSVBQMZPJEBA-YDALLXLXSA-N
MW270.76 g/mol
LogP2.20
Rot. Bonds4

About N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride

N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride (PubChem CID 67804532) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
PubChem CID67804532
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10(16)15-11-4-2-6-13(8-11)17-9-12-5-3-7-14-12;/h2,4,6,8,12,14H,3,5,7,9H2,1H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyFHBSVBQMZPJEBA-YDALLXLXSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119713721
N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
CID 69016004
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
CID 141311603
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride (CID 67804532) is N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride is CC(=O)Nc1cccc(OC[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride?
The InChIKey is FHBSVBQMZPJEBA-YDALLXLXSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-10(16)15-11-4-2-6-13(8-11)17-9-12-5-3-7-14-12;/h2,4,6,8,12,14H,3,5,7,9H2,1H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride?
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 67804532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).