1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide

C19H20ClN3O2 — CID 3219746

IUPAC1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-15-9-4-5-10-16(15)22-18(24)17-11-6-12-23(17)19(25)21-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,25)(H,22,24)
InChIKeyLJDJITPVIDALQE-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.65
Rot. Bonds4

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

1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219746) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219746
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-15-9-4-5-10-16(15)22-18(24)17-11-6-12-23(17)19(25)21-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,25)(H,22,24)
InChIKeyLJDJITPVIDALQE-UHFFFAOYSA-N
XLogP3.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
1-N-benzyl-2-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4590207
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
(2S)-1-N-benzyl-2-N-(3,4-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468769

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide (CID 3219746) is 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccccc1Cl)C1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is LJDJITPVIDALQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-9-4-5-10-16(15)22-18(24)17-11-6-12-23(17)19(25)21-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,25)(H,22,24).
What are the key properties of 1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.65, 4 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)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).