4-chloro-1-(4-iodophenyl)pyrrolidin-2-one

C10H9ClINO — CID 168689225

IUPAC4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(I)cc1
InChIInChI=1S/C10H9ClINO/c11-7-5-10(14)13(6-7)9-3-1-8(12)2-4-9/h1-4,7H,5-6H2
InChIKeyRSODYDYQZNLMLO-UHFFFAOYSA-N
MW321.55 g/mol
LogP2.64
Rot. Bonds1

About 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one

4-chloro-1-(4-iodophenyl)pyrrolidin-2-one (PubChem CID 168689225) has the molecular formula C10H9ClINO and a molecular weight of 321.55 g/mol. Its IUPAC name is 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
PubChem CID168689225
Molecular FormulaC10H9ClINO
Molecular Weight321.55 g/mol
Exact Mass320.94
IUPAC Name4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(I)cc1
InChIInChI=1S/C10H9ClINO/c11-7-5-10(14)13(6-7)9-3-1-8(12)2-4-9/h1-4,7H,5-6H2
InChIKeyRSODYDYQZNLMLO-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
CID 168689243
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
4-chloro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168687248
4-chloro-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168687750
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chloropyrrolidin-2-one
CID 168689905
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 168689188
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687443
1-(2,1,3-benzothiadiazol-5-yl)-4-chloropyrrolidin-2-one
CID 168689724
5-(4-chloro-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168689651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one (CID 168689225) is 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1ccc(I)cc1.
What is the InChIKey of 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one?
The InChIKey is RSODYDYQZNLMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClINO/c11-7-5-10(14)13(6-7)9-3-1-8(12)2-4-9/h1-4,7H,5-6H2.
What are the key properties of 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one?
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one has a molecular weight of 321.55 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168689225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).