N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide

C17H22INO — CID 126714178

IUPACN-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCN(C(=O)CI)C1C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C17H22INO/c1-2-19(15(20)11-18)17-14-9-8-13(10-14)16(17)12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3
InChIKeyJSFOBILPGCIZJN-UHFFFAOYSA-N
MW383.27 g/mol
LogP3.85
Rot. Bonds4

About N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide

N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 126714178) has the molecular formula C17H22INO and a molecular weight of 383.27 g/mol. Its IUPAC name is N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID126714178
Molecular FormulaC17H22INO
Molecular Weight383.27 g/mol
Exact Mass383.07
IUPAC NameN-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCN(C(=O)CI)C1C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C17H22INO/c1-2-19(15(20)11-18)17-14-9-8-13(10-14)16(17)12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3
InChIKeyJSFOBILPGCIZJN-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 126714178) is N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide is CCN(C(=O)CI)C1C2CCC(C2)C1c1ccccc1.
What is the InChIKey of N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is JSFOBILPGCIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22INO/c1-2-19(15(20)11-18)17-14-9-8-13(10-14)16(17)12-6-4-3-5-7-12/h3-7,13-14,16-17H,2,8-11H2,1H3.
What are the key properties of N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide?
N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 383.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iodo-N-(3-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 126714178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).