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

C16H20Cl2N2O2 — CID 113191072

IUPAC1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-3-4-7-19-16(22)11-8-15(21)20(10-11)14-9-12(17)5-6-13(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)
InChIKeyOZFMUIXVFBIBLN-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.65
Rot. Bonds6

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

1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (PubChem CID 113191072) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
PubChem CID113191072
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-3-4-7-19-16(22)11-8-15(21)20(10-11)14-9-12(17)5-6-13(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)
InChIKeyOZFMUIXVFBIBLN-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'}

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Related Compounds

1-(2,5-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113191068
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113190926
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 17152012
(3R)-1-(2,5-dimethoxyphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9394742
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190943
ethyl 1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873791
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9004622
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (CID 113191072) is 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is CCCCCNC(=O)C1CC(=O)N(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is OZFMUIXVFBIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-2-3-4-7-19-16(22)11-8-15(21)20(10-11)14-9-12(17)5-6-13(14)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22).
What are the key properties of 1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
1-(2,5-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-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113191072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).