N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide

C12H15ClN2O — CID 558417

IUPACN-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16)
InChIKeyLYOGVEMYZLFKJY-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.37
Rot. Bonds3

About N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide

N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 558417) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID558417
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16)
InChIKeyLYOGVEMYZLFKJY-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-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide (CID 558417) is N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is LYOGVEMYZLFKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16).
What are the key properties of N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
N-(3-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-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 558417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).