2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide

C19H23ClN2O4 — CID 139329131

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide
SMILESO=C(NCC1CCOCC1)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O4/c20-15-3-1-14(2-4-15)12-22-16(5-6-17(22)23)18(24)19(25)21-11-13-7-9-26-10-8-13/h1-4,13,16H,5-12H2,(H,21,25)
InChIKeyFOCMNINBRLIUKH-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.94
Rot. Bonds6

About 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide (PubChem CID 139329131) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide
PubChem CID139329131
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide
SMILESO=C(NCC1CCOCC1)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O4/c20-15-3-1-14(2-4-15)12-22-16(5-6-17(22)23)18(24)19(25)21-11-13-7-9-26-10-8-13/h1-4,13,16H,5-12H2,(H,21,25)
InChIKeyFOCMNINBRLIUKH-UHFFFAOYSA-N
XLogP1.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
2-[1-(cyclopentylmethyl)-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
CID 139329270
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
CID 159780896
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
CID 139329088
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 175656743

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide (CID 139329131) is 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide is O=C(NCC1CCOCC1)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide?
The InChIKey is FOCMNINBRLIUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c20-15-3-1-14(2-4-15)12-22-16(5-6-17(22)23)18(24)19(25)21-11-13-7-9-26-10-8-13/h1-4,13,16H,5-12H2,(H,21,25).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide has a molecular weight of 378.86 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide is sourced from PubChem (CID 139329131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).