4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one

C10H10ClIN2O — CID 168700601

IUPAC4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Cl)c(I)c2)C1
InChIInChI=1S/C10H10ClIN2O/c11-8-2-1-7(4-9(8)12)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2
InChIKeyFMHLCQOYRYCACP-UHFFFAOYSA-N
MW336.56 g/mol
LogP2.01
Rot. Bonds1

About 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one

4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one (PubChem CID 168700601) has the molecular formula C10H10ClIN2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
PubChem CID168700601
Molecular FormulaC10H10ClIN2O
Molecular Weight336.56 g/mol
Exact Mass335.95
IUPAC Name4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Cl)c(I)c2)C1
InChIInChI=1S/C10H10ClIN2O/c11-8-2-1-7(4-9(8)12)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2
InChIKeyFMHLCQOYRYCACP-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chloro-3-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674043
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
CID 168700589
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one
CID 69065606
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one (CID 168700601) is 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2ccc(Cl)c(I)c2)C1.
What is the InChIKey of 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one?
The InChIKey is FMHLCQOYRYCACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2O/c11-8-2-1-7(4-9(8)12)14-5-6(13)3-10(14)15/h1-2,4,6H,3,5,13H2.
What are the key properties of 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one?
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one has a molecular weight of 336.56 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168700601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).