diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate

C17H21ClN2O5 — CID 2822964

IUPACdiethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O5/c1-3-24-15(21)13-9-10-14(16(22)25-4-2)20(13)17(23)19-12-7-5-11(18)6-8-12/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyPWXCRPAPFMHYMS-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.83
Rot. Bonds5

About diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate

diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate (PubChem CID 2822964) has the molecular formula C17H21ClN2O5 and a molecular weight of 368.82 g/mol. Its IUPAC name is diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate
PubChem CID2822964
Molecular FormulaC17H21ClN2O5
Molecular Weight368.82 g/mol
Exact Mass368.11
IUPAC Namediethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O5/c1-3-24-15(21)13-9-10-14(16(22)25-4-2)20(13)17(23)19-12-7-5-11(18)6-8-12/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyPWXCRPAPFMHYMS-UHFFFAOYSA-N
XLogP2.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate?
The IUPAC name of diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate (CID 2822964) is diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate?
The canonical SMILES for diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate is CCOC(=O)C1CCC(C(=O)OCC)N1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate?
The InChIKey is PWXCRPAPFMHYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O5/c1-3-24-15(21)13-9-10-14(16(22)25-4-2)20(13)17(23)19-12-7-5-11(18)6-8-12/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,19,23).
What are the key properties of diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate?
diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate has a molecular weight of 368.82 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate is sourced from PubChem (CID 2822964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).