1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

C20H22ClN3O2 — CID 3219629

IUPAC1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H22ClN3O2/c21-17-10-5-4-9-16(17)14-22-19(25)18-11-6-12-24(18)20(26)23-13-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,25)(H,23,26)
InChIKeyDWBRGFLEMOAJKW-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.33
Rot. Bonds5

About 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3219629) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3219629
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H22ClN3O2/c21-17-10-5-4-9-16(17)14-22-19(25)18-11-6-12-24(18)20(26)23-13-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,25)(H,23,26)
InChIKeyDWBRGFLEMOAJKW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Ambenonium
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1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
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(S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-amino)-acetyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 3219629) is 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1Cl)C1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is DWBRGFLEMOAJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-10-5-4-9-16(17)14-22-19(25)18-11-6-12-24(18)20(26)23-13-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).