2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C23H26ClN3O3 — CID 47057382

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1N1CCCC1=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN3O3/c1-16(26-13-14-30-21(15-26)17-8-10-18(24)11-9-17)23(29)25-19-5-2-3-6-20(19)27-12-4-7-22(27)28/h2-3,5-6,8-11,16,21H,4,7,12-15H2,1H3,(H,25,29)
InChIKeyNKUMNROOTGMRFJ-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 47057382) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID47057382
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1N1CCCC1=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN3O3/c1-16(26-13-14-30-21(15-26)17-8-10-18(24)11-9-17)23(29)25-19-5-2-3-6-20(19)27-12-4-7-22(27)28/h2-3,5-6,8-11,16,21H,4,7,12-15H2,1H3,(H,25,29)
InChIKeyNKUMNROOTGMRFJ-UHFFFAOYSA-N
XLogP3.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 47057382) is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1ccccc1N1CCCC1=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is NKUMNROOTGMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-16(26-13-14-30-21(15-26)17-8-10-18(24)11-9-17)23(29)25-19-5-2-3-6-20(19)27-12-4-7-22(27)28/h2-3,5-6,8-11,16,21H,4,7,12-15H2,1H3,(H,25,29).
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 427.93 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 47057382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).