1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H22ClN3O3 — CID 3219826

IUPAC1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O3/c18-12-5-7-13(8-6-12)20-17(23)21-9-1-4-15(21)16(22)19-11-14-3-2-10-24-14/h5-8,14-15H,1-4,9-11H2,(H,19,22)(H,20,23)
InChIKeyCJQLWWVWUWHBPQ-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.63
Rot. Bonds4

About 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219826) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219826
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O3/c18-12-5-7-13(8-6-12)20-17(23)21-9-1-4-15(21)16(22)19-11-14-3-2-10-24-14/h5-8,14-15H,1-4,9-11H2,(H,19,22)(H,20,23)
InChIKeyCJQLWWVWUWHBPQ-UHFFFAOYSA-N
XLogP2.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3219826) is 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCC1CCCO1)C1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is CJQLWWVWUWHBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-12-5-7-13(8-6-12)20-17(23)21-9-1-4-15(21)16(22)19-11-14-3-2-10-24-14/h5-8,14-15H,1-4,9-11H2,(H,19,22)(H,20,23).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).