2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide

C21H17ClN4O6 — CID 39840542

IUPAC2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C\C(Cl)=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C21H17ClN4O6/c1-32-17-8-4-15(5-9-17)23-19(27)12-25-20(28)18(24-21(25)29)11-14(22)10-13-2-6-16(7-3-13)26(30)31/h2-11H,12H2,1H3,(H,23,27)(H,24,29)/b14-10-,18-11-
InChIKeyYNHYMMFWNBFFNZ-LQHTZKGQSA-N
MW456.84 g/mol
LogP3.26
Rot. Bonds7

About 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 39840542) has the molecular formula C21H17ClN4O6 and a molecular weight of 456.84 g/mol. Its IUPAC name is 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID39840542
Molecular FormulaC21H17ClN4O6
Molecular Weight456.84 g/mol
Exact Mass456.08
IUPAC Name2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C\C(Cl)=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1
InChIInChI=1S/C21H17ClN4O6/c1-32-17-8-4-15(5-9-17)23-19(27)12-25-20(28)18(24-21(25)29)11-14(22)10-13-2-6-16(7-3-13)26(30)31/h2-11H,12H2,1H3,(H,23,27)(H,24,29)/b14-10-,18-11-
InChIKeyYNHYMMFWNBFFNZ-LQHTZKGQSA-N
XLogP3.26
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.84
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
2-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16963554
2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16963563
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126229568
2-[(4Z)-2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16632775
N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632725
N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126236866
2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16797924
(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 6112838
N-(4-chlorophenyl)-2-[4-[[3-(3-methoxyphenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 77425707
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126233774
2-[(5E)-5-[[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 126244980

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 39840542) is 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)N/C(=C\C(Cl)=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1.
What is the InChIKey of 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YNHYMMFWNBFFNZ-LQHTZKGQSA-N. The full InChI is InChI=1S/C21H17ClN4O6/c1-32-17-8-4-15(5-9-17)23-19(27)12-25-20(28)18(24-21(25)29)11-14(22)10-13-2-6-16(7-3-13)26(30)31/h2-11H,12H2,1H3,(H,23,27)(H,24,29)/b14-10-,18-11-.
What are the key properties of 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 456.84 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 39840542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).