3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide

C20H27ClFN3O3 — CID 160567765

IUPAC3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide
SMILESO=C(Cc1ccc(Cl)c(F)c1)C(=O)NCC1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C20H27ClFN3O3/c21-17-2-1-15(11-18(17)22)12-19(26)20(27)23-13-16-3-4-25(14-16)6-5-24-7-9-28-10-8-24/h1-2,11,16H,3-10,12-14H2,(H,23,27)
InChIKeyOYRNETCCHAXHHU-UHFFFAOYSA-N
MW411.91 g/mol
LogP1.36
Rot. Bonds8

About 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide

3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide (PubChem CID 160567765) has the molecular formula C20H27ClFN3O3 and a molecular weight of 411.91 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide
PubChem CID160567765
Molecular FormulaC20H27ClFN3O3
Molecular Weight411.91 g/mol
Exact Mass411.17
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide
SMILESO=C(Cc1ccc(Cl)c(F)c1)C(=O)NCC1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C20H27ClFN3O3/c21-17-2-1-15(11-18(17)22)12-19(26)20(27)23-13-16-3-4-25(14-16)6-5-24-7-9-28-10-8-24/h1-2,11,16H,3-10,12-14H2,(H,23,27)
InChIKeyOYRNETCCHAXHHU-UHFFFAOYSA-N
XLogP1.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide (CID 160567765) is 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide is O=C(Cc1ccc(Cl)c(F)c1)C(=O)NCC1CCN(CCN2CCOCC2)C1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide?
The InChIKey is OYRNETCCHAXHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClFN3O3/c21-17-2-1-15(11-18(17)22)12-19(26)20(27)23-13-16-3-4-25(14-16)6-5-24-7-9-28-10-8-24/h1-2,11,16H,3-10,12-14H2,(H,23,27).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide?
3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide has a molecular weight of 411.91 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide is sourced from PubChem (CID 160567765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).