N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide

C14H15ClN2O3 — CID 127045517

IUPACN-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)N1C(=O)CCC1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-11(17-12(18)6-7-13(17)19)14(20)16-10-5-3-4-9(15)8-10/h3-5,8,11H,2,6-7H2,1H3,(H,16,20)
InChIKeyVCGWFXKMKHEPFZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.21
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide

N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 127045517) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID127045517
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)N1C(=O)CCC1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-11(17-12(18)6-7-13(17)19)14(20)16-10-5-3-4-9(15)8-10/h3-5,8,11H,2,6-7H2,1H3,(H,16,20)
InChIKeyVCGWFXKMKHEPFZ-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-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 127045517) is N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1cccc(Cl)c1)N1C(=O)CCC1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is VCGWFXKMKHEPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-11(17-12(18)6-7-13(17)19)14(20)16-10-5-3-4-9(15)8-10/h3-5,8,11H,2,6-7H2,1H3,(H,16,20).
What are the key properties of N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(3-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-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 127045517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).