(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide

C13H15ClN2O3 — CID 94211690

IUPAC(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
SMILESCCONC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H15ClN2O3/c1-2-19-15-12(17)11-7-8-16(13(11)18)10-5-3-9(14)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyMGXXPTMKPPUDKM-LLVKDONJSA-N
MW282.73 g/mol
LogP1.76
Rot. Bonds4

About (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide

(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 94211690) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
PubChem CID94211690
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
SMILESCCONC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H15ClN2O3/c1-2-19-15-12(17)11-7-8-16(13(11)18)10-5-3-9(14)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyMGXXPTMKPPUDKM-LLVKDONJSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)-2-oxopyrrolidine-3-carboxamide
CID 111483243
1-(4-chlorophenyl)-N,N-diethyl-2-oxopyrrolidine-3-carboxamide
CID 20964248
(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92750593
1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 46347377
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide
CID 20964259
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
1-(4-chlorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxopyrrolidine-3-carboxamide
CID 111483766
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963
1-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048883
1-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 60566893

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide (CID 94211690) is (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide is CCONC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is MGXXPTMKPPUDKM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-2-19-15-12(17)11-7-8-16(13(11)18)10-5-3-9(14)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94211690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).