N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide

C11H10ClIN2O2 — CID 103766910

IUPACN-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Cl)cc2I)CN1
InChIInChI=1S/C11H10ClIN2O2/c12-7-1-2-9(8(13)4-7)15-11(17)6-3-10(16)14-5-6/h1-2,4,6H,3,5H2,(H,14,16)(H,15,17)
InChIKeyWLIIDNGDNKYNGD-UHFFFAOYSA-N
MW364.57 g/mol
LogP2.02
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 103766910) has the molecular formula C11H10ClIN2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID103766910
Molecular FormulaC11H10ClIN2O2
Molecular Weight364.57 g/mol
Exact Mass363.95
IUPAC NameN-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Cl)cc2I)CN1
InChIInChI=1S/C11H10ClIN2O2/c12-7-1-2-9(8(13)4-7)15-11(17)6-3-10(16)14-5-6/h1-2,4,6H,3,5H2,(H,14,16)(H,15,17)
InChIKeyWLIIDNGDNKYNGD-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 83192640
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide (CID 103766910) is N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc(Cl)cc2I)CN1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WLIIDNGDNKYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2O2/c12-7-1-2-9(8(13)4-7)15-11(17)6-3-10(16)14-5-6/h1-2,4,6H,3,5H2,(H,14,16)(H,15,17).
What are the key properties of N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.57 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103766910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).