N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C12H16Cl2N2O — CID 24832355

IUPACN-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O.ClH/c13-10-5-1-2-6-11(10)14-12(16)9-15-7-3-4-8-15;/h1-2,5-6H,3-4,7-9H2,(H,14,16);1H
InChIKeyPAGMQUALXFLXHC-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.80
Rot. Bonds3

About N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 24832355) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID24832355
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O.ClH/c13-10-5-1-2-6-11(10)14-12(16)9-15-7-3-4-8-15;/h1-2,5-6H,3-4,7-9H2,(H,14,16);1H
InChIKeyPAGMQUALXFLXHC-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
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2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 24832355) is N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is PAGMQUALXFLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c13-10-5-1-2-6-11(10)14-12(16)9-15-7-3-4-8-15;/h1-2,5-6H,3-4,7-9H2,(H,14,16);1H.
What are the key properties of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 24832355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).