N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide

C17H21ClN2O3 — CID 136543947

IUPACN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide
SMILESCOC(C)(C(=O)NC1CCN(c2ccccc2Cl)C1=O)C1CC1
InChIInChI=1S/C17H21ClN2O3/c1-17(23-2,11-7-8-11)16(22)19-13-9-10-20(15(13)21)14-6-4-3-5-12(14)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,22)
InChIKeyACWMGDQZDHYMLQ-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide (PubChem CID 136543947) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide
PubChem CID136543947
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide
SMILESCOC(C)(C(=O)NC1CCN(c2ccccc2Cl)C1=O)C1CC1
InChIInChI=1S/C17H21ClN2O3/c1-17(23-2,11-7-8-11)16(22)19-13-9-10-20(15(13)21)14-6-4-3-5-12(14)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,22)
InChIKeyACWMGDQZDHYMLQ-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide (CID 136543947) is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide is COC(C)(C(=O)NC1CCN(c2ccccc2Cl)C1=O)C1CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide?
The InChIKey is ACWMGDQZDHYMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-17(23-2,11-7-8-11)16(22)19-13-9-10-20(15(13)21)14-6-4-3-5-12(14)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide?
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide has a molecular weight of 336.82 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide is sourced from PubChem (CID 136543947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).