N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide

C12H14Cl2N2O — CID 1248605

IUPACN-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-3-5-10(12(9)14)15-11(17)8-16-6-1-2-7-16/h3-5H,1-2,6-8H2,(H,15,17)
InChIKeyNNPJRQAMPDAAGM-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.03
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide

N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 1248605) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID1248605
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-3-5-10(12(9)14)15-11(17)8-16-6-1-2-7-16/h3-5H,1-2,6-8H2,(H,15,17)
InChIKeyNNPJRQAMPDAAGM-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide (CID 1248605) is N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is NNPJRQAMPDAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-4-3-5-10(12(9)14)15-11(17)8-16-6-1-2-7-16/h3-5H,1-2,6-8H2,(H,15,17).
What are the key properties of N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide?
N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 273.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1248605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).