1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C16H19ClN2O3 — CID 3160148

IUPAC1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H19ClN2O3/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h3-6,11,14H,1-2,7-10H2,(H,18,21)
InChIKeyJAIDNQMECJBHDD-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.99
Rot. Bonds4

About 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 3160148) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID3160148
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H19ClN2O3/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h3-6,11,14H,1-2,7-10H2,(H,18,21)
InChIKeyJAIDNQMECJBHDD-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 3160148) is 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is JAIDNQMECJBHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h3-6,11,14H,1-2,7-10H2,(H,18,21).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3160148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).