4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one

C11H11ClINO2 — CID 168687804

IUPAC4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(I)c(N2CC(Cl)CC2=O)c1
InChIInChI=1S/C11H11ClINO2/c1-16-8-2-3-9(13)10(5-8)14-6-7(12)4-11(14)15/h2-3,5,7H,4,6H2,1H3
InChIKeyVKNNNSFCXANGLX-UHFFFAOYSA-N
MW351.57 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one

4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one (PubChem CID 168687804) has the molecular formula C11H11ClINO2 and a molecular weight of 351.57 g/mol. Its IUPAC name is 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one
PubChem CID168687804
Molecular FormulaC11H11ClINO2
Molecular Weight351.57 g/mol
Exact Mass350.95
IUPAC Name4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(I)c(N2CC(Cl)CC2=O)c1
InChIInChI=1S/C11H11ClINO2/c1-16-8-2-3-9(13)10(5-8)14-6-7(12)4-11(14)15/h2-3,5,7H,4,6H2,1H3
InChIKeyVKNNNSFCXANGLX-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168687807
4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one
CID 168687900
S-[1-(2-chloro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705228
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752
4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 168507830
methyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methoxybenzoate
CID 168507337
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
1-[2-bromo-4-(trifluoromethoxy)phenyl]-4-chloropyrrolidin-2-one
CID 168689366
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
1-(5-methoxy-2-nitrophenyl)-4-sulfanylpyrrolidin-2-one
CID 168708565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one (CID 168687804) is 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one is COc1ccc(I)c(N2CC(Cl)CC2=O)c1.
What is the InChIKey of 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is VKNNNSFCXANGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO2/c1-16-8-2-3-9(13)10(5-8)14-6-7(12)4-11(14)15/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one?
4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 351.57 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168687804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).