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

C12H15ClN2O — CID 2212919

IUPACN-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/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)
InChIKeyLRJDGQWESRZVNX-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.37
Rot. Bonds3

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

N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 2212919) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID2212919
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/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)
InChIKeyLRJDGQWESRZVNX-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide (CID 2212919) is N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is LRJDGQWESRZVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/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).
What are the key properties of N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 238.72 g/mol, XLogP of 2.37, 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 is sourced from PubChem (CID 2212919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).