2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide

C27H30ClN3O4 — CID 71555436

IUPAC2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1=C(c2cccc(Cl)c2)C(=O)N(c2ccc(CCN3CCOCC3)cc2)C1=O
InChIInChI=1S/C27H30ClN3O4/c1-18(2)29-24(32)17-23-25(20-4-3-5-21(28)16-20)27(34)31(26(23)33)22-8-6-19(7-9-22)10-11-30-12-14-35-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,29,32)
InChIKeyHXWRUWZVLJDFJH-UHFFFAOYSA-N
MW496.01 g/mol
LogP3.46
Rot. Bonds8

About 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide

2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide (PubChem CID 71555436) has the molecular formula C27H30ClN3O4 and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide
PubChem CID71555436
Molecular FormulaC27H30ClN3O4
Molecular Weight496.01 g/mol
Exact Mass495.19
IUPAC Name2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1=C(c2cccc(Cl)c2)C(=O)N(c2ccc(CCN3CCOCC3)cc2)C1=O
InChIInChI=1S/C27H30ClN3O4/c1-18(2)29-24(32)17-23-25(20-4-3-5-21(28)16-20)27(34)31(26(23)33)22-8-6-19(7-9-22)10-11-30-12-14-35-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,29,32)
InChIKeyHXWRUWZVLJDFJH-UHFFFAOYSA-N
XLogP3.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.01
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide 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 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide (CID 71555436) is 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1=C(c2cccc(Cl)c2)C(=O)N(c2ccc(CCN3CCOCC3)cc2)C1=O.
What is the InChIKey of 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is HXWRUWZVLJDFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O4/c1-18(2)29-24(32)17-23-25(20-4-3-5-21(28)16-20)27(34)31(26(23)33)22-8-6-19(7-9-22)10-11-30-12-14-35-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide?
2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 496.01 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 71555436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).