2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide

C23H23Cl2N3O5 — CID 41301315

IUPAC2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC
InChIInChI=1S/C23H23Cl2N3O5/c1-4-13(2)33-21-17(25)9-14(11-19(21)32-3)10-18-22(30)28(23(31)27-18)12-20(29)26-16-7-5-15(24)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,26,29)(H,27,31)/b18-10-/t13-/m1/s1
InChIKeyGQDVACZMKQFJHY-CCOVPTLTSA-N
MW492.36 g/mol
LogP4.71
Rot. Bonds8

About 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide

2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 41301315) has the molecular formula C23H23Cl2N3O5 and a molecular weight of 492.36 g/mol. Its IUPAC name is 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID41301315
Molecular FormulaC23H23Cl2N3O5
Molecular Weight492.36 g/mol
Exact Mass491.10
IUPAC Name2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC
InChIInChI=1S/C23H23Cl2N3O5/c1-4-13(2)33-21-17(25)9-14(11-19(21)32-3)10-18-22(30)28(23(31)27-18)12-20(29)26-16-7-5-15(24)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,26,29)(H,27,31)/b18-10-/t13-/m1/s1
InChIKeyGQDVACZMKQFJHY-CCOVPTLTSA-N
XLogP4.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.36
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 41301263
2-[(4Z)-4-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 21216102
2-[(5Z)-5-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
CID 126388091
(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126248568
2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126024998
2-[(4E)-4-[[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030388
(2R)-2-[4-[(Z)-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoate
CID 2175604
(5E)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126229691
2-[(4E)-4-[[3-bromo-4-[(2S)-butan-2-yl]oxy-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126221366
2-[(4E)-4-[[4-[(2S)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126247579
2-[(4E)-4-[[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126021985
2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126217558

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide (CID 41301315) is 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide is CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC.
What is the InChIKey of 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is GQDVACZMKQFJHY-CCOVPTLTSA-N. The full InChI is InChI=1S/C23H23Cl2N3O5/c1-4-13(2)33-21-17(25)9-14(11-19(21)32-3)10-18-22(30)28(23(31)27-18)12-20(29)26-16-7-5-15(24)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,26,29)(H,27,31)/b18-10-/t13-/m1/s1.
What are the key properties of 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?
2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 492.36 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 41301315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).