2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

C14H20Cl2N2O3 — CID 120944491

IUPAC2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
SMILESCC(Oc1ccccc1Cl)C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C14H19ClN2O3.ClH/c1-9(20-13-5-3-2-4-11(13)15)14(19)17-7-10-6-16-8-12(10)18;/h2-5,9-10,12,16,18H,6-8H2,1H3,(H,17,19);1H
InChIKeyLHYNZOLQXZQQIL-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.23
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (PubChem CID 120944491) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
PubChem CID120944491
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
SMILESCC(Oc1ccccc1Cl)C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C14H19ClN2O3.ClH/c1-9(20-13-5-3-2-4-11(13)15)14(19)17-7-10-6-16-8-12(10)18;/h2-5,9-10,12,16,18H,6-8H2,1H3,(H,17,19);1H
InChIKeyLHYNZOLQXZQQIL-UHFFFAOYSA-N
XLogP1.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 120948683
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120947349
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (CID 120944491) is 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is CC(Oc1ccccc1Cl)C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is LHYNZOLQXZQQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3.ClH/c1-9(20-13-5-3-2-4-11(13)15)14(19)17-7-10-6-16-8-12(10)18;/h2-5,9-10,12,16,18H,6-8H2,1H3,(H,17,19);1H.
What are the key properties of 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 335.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120944491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).