2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride

C13H18Cl2N2O2 — CID 136561181

IUPAC2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
SMILESCOC1CNCC1NC(=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-8-15-7-11(12)16-13(17)6-9-3-2-4-10(14)5-9;/h2-5,11-12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeySVCHHNBUXPHGDQ-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride

2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride (PubChem CID 136561181) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
PubChem CID136561181
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
SMILESCOC1CNCC1NC(=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-8-15-7-11(12)16-13(17)6-9-3-2-4-10(14)5-9;/h2-5,11-12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeySVCHHNBUXPHGDQ-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride
CID 91660112
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
CID 74883365
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
N-[(4S)-4-methoxypyrrolidin-3-yl]but-3-enamide
CID 62680070
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
CID 99777059

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride (CID 136561181) is 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride is COC1CNCC1NC(=O)Cc1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride?
The InChIKey is SVCHHNBUXPHGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-18-12-8-15-7-11(12)16-13(17)6-9-3-2-4-10(14)5-9;/h2-5,11-12,15H,6-8H2,1H3,(H,16,17);1H.
What are the key properties of 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride?
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 136561181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).