2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

C20H17ClFN3O5 — CID 126217558

IUPAC2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OC
InChIInChI=1S/C20H17ClFN3O5/c1-29-16-9-11(7-12(21)18(16)30-2)8-15-19(27)25(20(28)24-15)10-17(26)23-14-6-4-3-5-13(14)22/h3-9H,10H2,1-2H3,(H,23,26)(H,24,28)/b15-8+
InChIKeyNOEHAMKZGJKFDI-OVCLIPMQSA-N
MW433.82 g/mol
LogP3.03
Rot. Bonds6

About 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 126217558) has the molecular formula C20H17ClFN3O5 and a molecular weight of 433.82 g/mol. Its IUPAC name is 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID126217558
Molecular FormulaC20H17ClFN3O5
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC Name2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OC
InChIInChI=1S/C20H17ClFN3O5/c1-29-16-9-11(7-12(21)18(16)30-2)8-15-19(27)25(20(28)24-15)10-17(26)23-14-6-4-3-5-13(14)22/h3-9H,10H2,1-2H3,(H,23,26)(H,24,28)/b15-8+
InChIKeyNOEHAMKZGJKFDI-OVCLIPMQSA-N
XLogP3.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.82
LogP ≤ 53.03
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-[(4E)-4-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126215121
3-[[2-chloro-4-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126208582
2-[(4E)-4-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126214297
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-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126207001
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218354
ethyl 2-[2-chloro-6-methoxy-4-[(E)-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 126241535
2-[2,6-dichloro-4-[(E)-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126234998
2-[(4E)-4-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126224792
2-[(4E)-4-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126242659
2-[(4E)-4-[[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126209051
2-[(4E)-4-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126238833

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 126217558) is 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OC.
What is the InChIKey of 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is NOEHAMKZGJKFDI-OVCLIPMQSA-N. The full InChI is InChI=1S/C20H17ClFN3O5/c1-29-16-9-11(7-12(21)18(16)30-2)8-15-19(27)25(20(28)24-15)10-17(26)23-14-6-4-3-5-13(14)22/h3-9H,10H2,1-2H3,(H,23,26)(H,24,28)/b15-8+.
What are the key properties of 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 433.82 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126217558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).