(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide

C21H24ClN3O2 — CID 1468798

IUPAC(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C21H24ClN3O2/c22-18-10-8-16(9-11-18)12-13-23-20(26)19-7-4-14-25(19)21(27)24-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyUDSOXHGEPLYOHL-IBGZPJMESA-N
MW385.89 g/mol
LogP3.37
Rot. Bonds6

About (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1468798) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.89 g/mol. Its IUPAC name is (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1468798
Molecular FormulaC21H24ClN3O2
Molecular Weight385.89 g/mol
Exact Mass385.16
IUPAC Name(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C21H24ClN3O2/c22-18-10-8-16(9-11-18)12-13-23-20(26)19-7-4-14-25(19)21(27)24-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyUDSOXHGEPLYOHL-IBGZPJMESA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
1-N-benzyl-2-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4590207
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
2-[[4-[(4-chlorophenyl)methylamino]-4-oxobutyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 67811566
tert-butyl (2S)-2-[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769436
1-[1-(benzylcarbamoyl)pyrrolidine-2-carbonyl]-N-dodecylpyrrolidine-2-carboxamide
CID 67810807
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide (CID 1468798) is (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is UDSOXHGEPLYOHL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-18-10-8-16(9-11-18)12-13-23-20(26)19-7-4-14-25(19)21(27)24-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 385.89 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).