4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide

C21H22ClN3O3 — CID 9261875

IUPAC4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H22ClN3O3/c22-15-3-8-18(19(14-15)25-9-1-2-20(25)26)21(27)23-16-4-6-17(7-5-16)24-10-12-28-13-11-24/h3-8,14H,1-2,9-13H2,(H,23,27)
InChIKeyLZAFYKUAOMPSIO-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.56
Rot. Bonds4

About 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9261875) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9261875
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H22ClN3O3/c22-15-3-8-18(19(14-15)25-9-1-2-20(25)26)21(27)23-16-4-6-17(7-5-16)24-10-12-28-13-11-24/h3-8,14H,1-2,9-13H2,(H,23,27)
InChIKeyLZAFYKUAOMPSIO-UHFFFAOYSA-N
XLogP3.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide (CID 9261875) is 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LZAFYKUAOMPSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-15-3-8-18(19(14-15)25-9-1-2-20(25)26)21(27)23-16-4-6-17(7-5-16)24-10-12-28-13-11-24/h3-8,14H,1-2,9-13H2,(H,23,27).
What are the key properties of 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-morpholin-4-ylphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9261875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).