N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C18H13FN2O4 — CID 110581350

IUPACN-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C18H13FN2O4/c1-10(22)20-13-7-5-11(6-8-13)15-16(23)18(25)21(17(15)24)14-4-2-3-12(19)9-14/h2-9,23H,1H3,(H,20,22)
InChIKeyUTYPRZYYCCWBTM-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.63
Rot. Bonds3

About N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110581350) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110581350
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC NameN-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C18H13FN2O4/c1-10(22)20-13-7-5-11(6-8-13)15-16(23)18(25)21(17(15)24)14-4-2-3-12(19)9-14/h2-9,23H,1H3,(H,20,22)
InChIKeyUTYPRZYYCCWBTM-UHFFFAOYSA-N
XLogP2.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110581375
N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide
CID 110581405
N-[4-[4-(3-ethoxyanilino)-1-(3-fluorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596609
N-[4-[4-hydroxy-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrol-3-yl]phenyl]acetamide
CID 110581400
N-[4-[3-hydroxy-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110580988
N-[4-[3-(4-fluoroanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587150
N-[4-[3-(2,3-dimethylanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587161
N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596693
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110599639
N-[4-[4-hydroxy-2,5-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]phenyl]acetamide
CID 110581286
N-[4-[2,5-dioxo-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrol-3-yl]phenyl]acetamide
CID 110596724
N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583595

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110581350) is N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)C2=O)cc1.
What is the InChIKey of N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is UTYPRZYYCCWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4/c1-10(22)20-13-7-5-11(6-8-13)15-16(23)18(25)21(17(15)24)14-4-2-3-12(19)9-14/h2-9,23H,1H3,(H,20,22).
What are the key properties of N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 340.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110581350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).