(2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide

C24H26ClN3O3 — CID 50944097

IUPAC(2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H26ClN3O3/c25-19-11-5-4-10-18(19)16-26-22(29)20-12-6-14-27(20)24(31)21-13-7-15-28(21)23(30)17-8-2-1-3-9-17/h1-5,8-11,20-21H,6-7,12-16H2,(H,26,29)/t20-,21-/m1/s1
InChIKeyLUCMCYNIEONQNN-NHCUHLMSSA-N
MW439.94 g/mol
LogP3.25
Rot. Bonds5

About (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide

(2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 50944097) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID50944097
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name(2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H26ClN3O3/c25-19-11-5-4-10-18(19)16-26-22(29)20-12-6-14-27(20)24(31)21-13-7-15-28(21)23(30)17-8-2-1-3-9-17/h1-5,8-11,20-21H,6-7,12-16H2,(H,26,29)/t20-,21-/m1/s1
InChIKeyLUCMCYNIEONQNN-NHCUHLMSSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide (CID 50944097) is (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1.
What is the InChIKey of (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LUCMCYNIEONQNN-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-19-11-5-4-10-18(19)16-26-22(29)20-12-6-14-27(20)24(31)21-13-7-15-28(21)23(30)17-8-2-1-3-9-17/h1-5,8-11,20-21H,6-7,12-16H2,(H,26,29)/t20-,21-/m1/s1.
What are the key properties of (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50944097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).