N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide

C11H11ClINO2 — CID 103766842

IUPACN-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CCOC1
InChIInChI=1S/C11H11ClINO2/c12-8-1-2-10(9(13)5-8)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyRMOZBTOTFXFUNK-UHFFFAOYSA-N
MW351.57 g/mol
LogP2.92
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide

N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide (PubChem CID 103766842) has the molecular formula C11H11ClINO2 and a molecular weight of 351.57 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
PubChem CID103766842
Molecular FormulaC11H11ClINO2
Molecular Weight351.57 g/mol
Exact Mass350.95
IUPAC NameN-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CCOC1
InChIInChI=1S/C11H11ClINO2/c12-8-1-2-10(9(13)5-8)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyRMOZBTOTFXFUNK-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 52.92
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

N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
CID 81028663
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide
CID 81271078
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
CID 71969033
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide (CID 103766842) is N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide is O=C(Nc1ccc(Cl)cc1I)C1CCOC1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide?
The InChIKey is RMOZBTOTFXFUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO2/c12-8-1-2-10(9(13)5-8)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6H2,(H,14,15).
What are the key properties of N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide?
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide has a molecular weight of 351.57 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 103766842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).