(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide

C21H23Cl2N3O2 — CID 25231300

IUPAC(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide
SMILESCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-2-25(14-15-5-7-16(22)8-6-15)20(27)19-4-3-13-26(19)21(28)24-18-11-9-17(23)10-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyGAMDYYPXHSNAMX-LJQANCHMSA-N
MW420.34 g/mol
LogP5.04
Rot. Bonds5

About (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide

(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide (PubChem CID 25231300) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide
PubChem CID25231300
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide
SMILESCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-2-25(14-15-5-7-16(22)8-6-15)20(27)19-4-3-13-26(19)21(28)24-18-11-9-17(23)10-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyGAMDYYPXHSNAMX-LJQANCHMSA-N
XLogP5.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide (CID 25231300) is (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide is CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide?
The InChIKey is GAMDYYPXHSNAMX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-2-25(14-15-5-7-16(22)8-6-15)20(27)19-4-3-13-26(19)21(28)24-18-11-9-17(23)10-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide has a molecular weight of 420.34 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25231300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).