1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione

C13H14ClIN2O2 — CID 107604202

IUPAC1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccc(I)cc2Cl)C1=O
InChIInChI=1S/C13H14ClIN2O2/c1-7(2)12-13(19)17(6-11(18)16-12)10-4-3-8(15)5-9(10)14/h3-5,7,12H,6H2,1-2H3,(H,16,18)
InChIKeyDIRIRPCRIPLXOS-UHFFFAOYSA-N
MW392.62 g/mol
LogP2.43
Rot. Bonds2

About 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione

1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 107604202) has the molecular formula C13H14ClIN2O2 and a molecular weight of 392.62 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID107604202
Molecular FormulaC13H14ClIN2O2
Molecular Weight392.62 g/mol
Exact Mass391.98
IUPAC Name1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(c2ccc(I)cc2Cl)C1=O
InChIInChI=1S/C13H14ClIN2O2/c1-7(2)12-13(19)17(6-11(18)16-12)10-4-3-8(15)5-9(10)14/h3-5,7,12H,6H2,1-2H3,(H,16,18)
InChIKeyDIRIRPCRIPLXOS-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 52.43
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-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962699
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961924
1-(2,4-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957903
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine-2,5-dione
CID 64963427
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957960
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438
1-(2-chloro-6-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 66255310
3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-(2-chloro-4-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 107604189

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 107604202) is 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(c2ccc(I)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DIRIRPCRIPLXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O2/c1-7(2)12-13(19)17(6-11(18)16-12)10-4-3-8(15)5-9(10)14/h3-5,7,12H,6H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 392.62 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107604202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).