(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 30247534

IUPAC(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-23(14-17-9-5-6-10-19(17)22)21(26)18-13-20(25)24(15-18)12-11-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3/t18-/m0/s1
InChIKeyPTEMKIIKNWYRCU-SFHVURJKSA-N
MW370.88 g/mol
LogP3.39
Rot. Bonds6

About (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 30247534) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID30247534
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-23(14-17-9-5-6-10-19(17)22)21(26)18-13-20(25)24(15-18)12-11-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3/t18-/m0/s1
InChIKeyPTEMKIIKNWYRCU-SFHVURJKSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 30247534) is (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is PTEMKIIKNWYRCU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-23(14-17-9-5-6-10-19(17)22)21(26)18-13-20(25)24(15-18)12-11-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 30247534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).