N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide

C23H16ClN3O5 — CID 20844245

IUPACN-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1/N(/C=C2\C(=O)Oc3ccccc3C2=O)C(=O)/C(=C\c2ccccc2Cl)N1C
InChIInChI=1S/C23H16ClN3O5/c1-13(28)25-23-26(2)18(11-14-7-3-5-9-17(14)24)21(30)27(23)12-16-20(29)15-8-4-6-10-19(15)32-22(16)31/h3-12H,1-2H3/b16-12-,18-11+,25-23+
InChIKeyJPGQVJYUUXYLIE-QPEAIDNGSA-N
MW449.85 g/mol
LogP3.04
Rot. Bonds2

About N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide

N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide (PubChem CID 20844245) has the molecular formula C23H16ClN3O5 and a molecular weight of 449.85 g/mol. Its IUPAC name is N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
PubChem CID20844245
Molecular FormulaC23H16ClN3O5
Molecular Weight449.85 g/mol
Exact Mass449.08
IUPAC NameN-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1/N(/C=C2\C(=O)Oc3ccccc3C2=O)C(=O)/C(=C\c2ccccc2Cl)N1C
InChIInChI=1S/C23H16ClN3O5/c1-13(28)25-23-26(2)18(11-14-7-3-5-9-17(14)24)21(30)27(23)12-16-20(29)15-8-4-6-10-19(15)32-22(16)31/h3-12H,1-2H3/b16-12-,18-11+,25-23+
InChIKeyJPGQVJYUUXYLIE-QPEAIDNGSA-N
XLogP3.04
TPSA96.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.85
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide 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 N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide?
The IUPAC name of N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide (CID 20844245) is N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide.
What is the SMILES notation for N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide?
The canonical SMILES for N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide is CC(=O)/N=C1/N(/C=C2\C(=O)Oc3ccccc3C2=O)C(=O)/C(=C\c2ccccc2Cl)N1C.
What is the InChIKey of N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide?
The InChIKey is JPGQVJYUUXYLIE-QPEAIDNGSA-N. The full InChI is InChI=1S/C23H16ClN3O5/c1-13(28)25-23-26(2)18(11-14-7-3-5-9-17(14)24)21(30)27(23)12-16-20(29)15-8-4-6-10-19(15)32-22(16)31/h3-12H,1-2H3/b16-12-,18-11+,25-23+.
What are the key properties of N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide?
N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide has a molecular weight of 449.85 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-[(2-chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide is sourced from PubChem (CID 20844245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).