(3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H19ClN2O2 — CID 68615660

IUPAC(3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(c2ccc(/C=C/c3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C20H19ClN2O2/c1-22-20(25)16-12-19(24)23(13-16)18-9-7-14(8-10-18)5-6-15-3-2-4-17(21)11-15/h2-11,16H,12-13H2,1H3,(H,22,25)/b6-5+/t16-/m0/s1
InChIKeyYQWIBADSRLKTPR-JFDDCEBESA-N
MW354.84 g/mol
LogP3.61
Rot. Bonds4

About (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 68615660) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID68615660
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(c2ccc(/C=C/c3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C20H19ClN2O2/c1-22-20(25)16-12-19(24)23(13-16)18-9-7-14(8-10-18)5-6-15-3-2-4-17(21)11-15/h2-11,16H,12-13H2,1H3,(H,22,25)/b6-5+/t16-/m0/s1
InChIKeyYQWIBADSRLKTPR-JFDDCEBESA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68615960
(3S)-1-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68615651
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
1-(3-chlorophenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55820288
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 68615660) is (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)[C@H]1CC(=O)N(c2ccc(/C=C/c3cccc(Cl)c3)cc2)C1.
What is the InChIKey of (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YQWIBADSRLKTPR-JFDDCEBESA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-22-20(25)16-12-19(24)23(13-16)18-9-7-14(8-10-18)5-6-15-3-2-4-17(21)11-15/h2-11,16H,12-13H2,1H3,(H,22,25)/b6-5+/t16-/m0/s1.
What are the key properties of (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 68615660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).