2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide

C12H15ClINO — CID 123273656

IUPAC2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide
SMILESCCN(C(=O)CCl)C(C)c1ccc(I)cc1
InChIInChI=1S/C12H15ClINO/c1-3-15(12(16)8-13)9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyCOJQMHYXVFKMCE-UHFFFAOYSA-N
MW351.62 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide

2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide (PubChem CID 123273656) has the molecular formula C12H15ClINO and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide
PubChem CID123273656
Molecular FormulaC12H15ClINO
Molecular Weight351.62 g/mol
Exact Mass350.99
IUPAC Name2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide
SMILESCCN(C(=O)CCl)C(C)c1ccc(I)cc1
InChIInChI=1S/C12H15ClINO/c1-3-15(12(16)8-13)9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyCOJQMHYXVFKMCE-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 53.44
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 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide (CID 123273656) is 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide is CCN(C(=O)CCl)C(C)c1ccc(I)cc1.
What is the InChIKey of 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide?
The InChIKey is COJQMHYXVFKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO/c1-3-15(12(16)8-13)9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide?
2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide has a molecular weight of 351.62 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide is sourced from PubChem (CID 123273656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).