N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C19H15ClN2O4 — CID 3045052

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H15ClN2O4/c20-13-6-7-15(14(10-13)19(26)12-4-2-1-3-5-12)21-16(23)11-22-17(24)8-9-18(22)25/h1-7,10H,8-9,11H2,(H,21,23)
InChIKeyDGXRJFHOUHLMCK-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.66
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 3045052) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID3045052
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H15ClN2O4/c20-13-6-7-15(14(10-13)19(26)12-4-2-1-3-5-12)21-16(23)11-22-17(24)8-9-18(22)25/h1-7,10H,8-9,11H2,(H,21,23)
InChIKeyDGXRJFHOUHLMCK-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 3045052) is N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is DGXRJFHOUHLMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c20-13-6-7-15(14(10-13)19(26)12-4-2-1-3-5-12)21-16(23)11-22-17(24)8-9-18(22)25/h1-7,10H,8-9,11H2,(H,21,23).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 370.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 3045052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).