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

C14H15IN2O3 — CID 17034974

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccccc1I
InChIInChI=1S/C14H15IN2O3/c15-10-4-1-2-5-11(10)16-12(18)6-3-9-17-13(19)7-8-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18)
InChIKeyYGBOZRQJTUKYIA-UHFFFAOYSA-N
MW386.19 g/mol
LogP2.16
Rot. Bonds5

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

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide (PubChem CID 17034974) has the molecular formula C14H15IN2O3 and a molecular weight of 386.19 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
PubChem CID17034974
Molecular FormulaC14H15IN2O3
Molecular Weight386.19 g/mol
Exact Mass386.01
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccccc1I
InChIInChI=1S/C14H15IN2O3/c15-10-4-1-2-5-11(10)16-12(18)6-3-9-17-13(19)7-8-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18)
InChIKeyYGBOZRQJTUKYIA-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035040
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
methyl 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzoate
CID 17034971
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034956
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844619
N-(2,5-dichlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035036
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 38282948
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide (CID 17034974) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide is O=C(CCCN1C(=O)CCC1=O)Nc1ccccc1I.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide?
The InChIKey is YGBOZRQJTUKYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O3/c15-10-4-1-2-5-11(10)16-12(18)6-3-9-17-13(19)7-8-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide has a molecular weight of 386.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide is sourced from PubChem (CID 17034974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).