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

C14H15ClN2O3 — CID 127045518

IUPACN-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-11(17-12(18)7-8-13(17)19)14(20)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,20)
InChIKeyNXMFBTUYXLTJLG-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.21
Rot. Bonds4

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

N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 127045518) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID127045518
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-11(17-12(18)7-8-13(17)19)14(20)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,20)
InChIKeyNXMFBTUYXLTJLG-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
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-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 127045518) is N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1ccc(Cl)cc1)N1C(=O)CCC1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is NXMFBTUYXLTJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-11(17-12(18)7-8-13(17)19)14(20)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,20).
What are the key properties of N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 294.74 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 127045518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).