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

C25H19F2N3O4 — CID 126205703

IUPACN-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)Nc1ccccc1F
InChIInChI=1S/C25H19F2N3O4/c26-19-9-2-1-7-17(19)15-34-18-8-5-6-16(12-18)13-22-24(32)30(25(33)29-22)14-23(31)28-21-11-4-3-10-20(21)27/h1-13H,14-15H2,(H,28,31)(H,29,33)/b22-13+
InChIKeyDQFPQFXIVMAKPP-LPYMAVHISA-N
MW463.44 g/mol
LogP4.08
Rot. Bonds7

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

N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126205703) has the molecular formula C25H19F2N3O4 and a molecular weight of 463.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID126205703
Molecular FormulaC25H19F2N3O4
Molecular Weight463.44 g/mol
Exact Mass463.13
IUPAC NameN-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)Nc1ccccc1F
InChIInChI=1S/C25H19F2N3O4/c26-19-9-2-1-7-17(19)15-34-18-8-5-6-16(12-18)13-22-24(32)30(25(33)29-22)14-23(31)28-21-11-4-3-10-20(21)27/h1-13H,14-15H2,(H,28,31)(H,29,33)/b22-13+
InChIKeyDQFPQFXIVMAKPP-LPYMAVHISA-N
XLogP4.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126238833
2-[(4E)-4-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126206323
2-[(4E)-4-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126215755
2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 126280955
2-[(4E)-4-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126210144
2-[(4E)-4-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126217959
N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126218964
N-(2-fluorophenyl)-2-[(4E)-4-[[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126217340
2-[(4E)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126221963
2-[2,6-dibromo-4-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126218191
2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126223490
2-[(4E)-4-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126207554

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126205703) is N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)N/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DQFPQFXIVMAKPP-LPYMAVHISA-N. The full InChI is InChI=1S/C25H19F2N3O4/c26-19-9-2-1-7-17(19)15-34-18-8-5-6-16(12-18)13-22-24(32)30(25(33)29-22)14-23(31)28-21-11-4-3-10-20(21)27/h1-13H,14-15H2,(H,28,31)(H,29,33)/b22-13+.
What are the key properties of N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 463.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126205703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).