1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

C16H20Cl2N2O2 — CID 113191264

IUPAC1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-3-4-8-19-16(22)11-9-14(21)20(10-11)15-12(17)6-5-7-13(15)18/h5-7,11H,2-4,8-10H2,1H3,(H,19,22)
InChIKeyPNDAPEIYOUOWBI-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.65
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (PubChem CID 113191264) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
PubChem CID113191264
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-3-4-8-19-16(22)11-9-14(21)20(10-11)15-12(17)6-5-7-13(15)18/h5-7,11H,2-4,8-10H2,1H3,(H,19,22)
InChIKeyPNDAPEIYOUOWBI-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191072
1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113191224
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113188805
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 17152012
1-[(2-chlorophenyl)methyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113183631
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
1-(2,6-dichlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191212

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (CID 113191264) is 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is CCCCCNC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is PNDAPEIYOUOWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-2-3-4-8-19-16(22)11-9-14(21)20(10-11)15-12(17)6-5-7-13(15)18/h5-7,11H,2-4,8-10H2,1H3,(H,19,22).
What are the key properties of 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113191264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).