N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C19H16N2O4 — CID 56763085

IUPACN-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C/C(=C\c3cccc(O)c3)C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)20-15-5-7-16(8-6-15)21-18(24)11-14(19(21)25)9-13-3-2-4-17(23)10-13/h2-10,23H,11H2,1H3,(H,20,22)/b14-9+
InChIKeyDHLGIGQEFKWXSF-NTEUORMPSA-N
MW336.35 g/mol
LogP2.70
Rot. Bonds3

About N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 56763085) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID56763085
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C/C(=C\c3cccc(O)c3)C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)20-15-5-7-16(8-6-15)21-18(24)11-14(19(21)25)9-13-3-2-4-17(23)10-13/h2-10,23H,11H2,1H3,(H,20,22)/b14-9+
InChIKeyDHLGIGQEFKWXSF-NTEUORMPSA-N
XLogP2.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 56763085) is N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C/C(=C\c3cccc(O)c3)C2=O)cc1.
What is the InChIKey of N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is DHLGIGQEFKWXSF-NTEUORMPSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)20-15-5-7-16(8-6-15)21-18(24)11-14(19(21)25)9-13-3-2-4-17(23)10-13/h2-10,23H,11H2,1H3,(H,20,22)/b14-9+.
What are the key properties of N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3E)-3-[(3-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 56763085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).