N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide

C13H13ClN2O3 — CID 617161

IUPACN-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)CCC1=O)c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2O3/c1-9(17)15(11-4-2-3-10(14)7-11)8-16-12(18)5-6-13(16)19/h2-4,7H,5-6,8H2,1H3
InChIKeyWLKPVXNUQHDUGI-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.80
Rot. Bonds3

About N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide

N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide (PubChem CID 617161) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
PubChem CID617161
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC NameN-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)CCC1=O)c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2O3/c1-9(17)15(11-4-2-3-10(14)7-11)8-16-12(18)5-6-13(16)19/h2-4,7H,5-6,8H2,1H3
InChIKeyWLKPVXNUQHDUGI-UHFFFAOYSA-N
XLogP1.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide (CID 617161) is N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide is CC(=O)N(CN1C(=O)CCC1=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The InChIKey is WLKPVXNUQHDUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-9(17)15(11-4-2-3-10(14)7-11)8-16-12(18)5-6-13(16)19/h2-4,7H,5-6,8H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide has a molecular weight of 280.71 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide is sourced from PubChem (CID 617161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).