1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide

C17H21IN2O2 — CID 597131

IUPAC1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21IN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22)
InChIKeyBRLWNQDQODRALI-UHFFFAOYSA-N
MW412.27 g/mol
LogP3.41
Rot. Bonds3

About 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 597131) has the molecular formula C17H21IN2O2 and a molecular weight of 412.27 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID597131
Molecular FormulaC17H21IN2O2
Molecular Weight412.27 g/mol
Exact Mass412.06
IUPAC Name1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21IN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22)
InChIKeyBRLWNQDQODRALI-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.41
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-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
1-Cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 623482
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 790557
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
3-Anilino-1-phenylsuccinimide
CID 2792660
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883369
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide (CID 597131) is 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(I)cc1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BRLWNQDQODRALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22).
What are the key properties of 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 412.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 597131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).