N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide

C15H20Cl2N2O — CID 3039076

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide
SMILESCCC(NC(=O)CN1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-2-14(11-5-6-12(16)13(17)9-11)18-15(20)10-19-7-3-4-8-19/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeySEFXAHDKSFHGJH-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide

N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 3039076) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide
PubChem CID3039076
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide
SMILESCCC(NC(=O)CN1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-2-14(11-5-6-12(16)13(17)9-11)18-15(20)10-19-7-3-4-8-19/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeySEFXAHDKSFHGJH-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide (CID 3039076) is N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide is CCC(NC(=O)CN1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is SEFXAHDKSFHGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-14(11-5-6-12(16)13(17)9-11)18-15(20)10-19-7-3-4-8-19/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,20).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide?
N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 315.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3039076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).