2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

C20H22ClN3O2 — CID 24746886

IUPAC2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22ClN3O2/c21-16-10-8-15(9-11-16)12-13-22-19(25)18-7-4-14-24(18)20(26)23-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26)
InChIKeyXSFAHBWXHWWUIV-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.70
Rot. Bonds5

About 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 24746886) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID24746886
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22ClN3O2/c21-16-10-8-15(9-11-16)12-13-22-19(25)18-7-4-14-24(18)20(26)23-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26)
InChIKeyXSFAHBWXHWWUIV-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 24746886) is 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XSFAHBWXHWWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-10-8-15(9-11-16)12-13-22-19(25)18-7-4-14-24(18)20(26)23-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26).
What are the key properties of 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-chlorophenyl)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 24746886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).