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

C18H13ClN2O4 — CID 110581375

IUPACN-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H13ClN2O4/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)
InChIKeyYLORXOZTPFJGBJ-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.14
Rot. Bonds3

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

N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110581375) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110581375
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC NameN-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H13ClN2O4/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)
InChIKeyYLORXOZTPFJGBJ-UHFFFAOYSA-N
XLogP3.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110581375) is N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is YLORXOZTPFJGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/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-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 356.77 g/mol, XLogP of 3.14, 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-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).