2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide

C15H13FINO — CID 2676752

IUPAC2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2F)cc1I
InChIInChI=1S/C15H13FINO/c1-10-6-7-12(9-14(10)17)18-15(19)8-11-4-2-3-5-13(11)16/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyCHUFGOFTBKFUKO-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.92
Rot. Bonds3

About 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide

2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide (PubChem CID 2676752) has the molecular formula C15H13FINO and a molecular weight of 369.18 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide
PubChem CID2676752
Molecular FormulaC15H13FINO
Molecular Weight369.18 g/mol
Exact Mass369.00
IUPAC Name2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2F)cc1I
InChIInChI=1S/C15H13FINO/c1-10-6-7-12(9-14(10)17)18-15(19)8-11-4-2-3-5-13(11)16/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyCHUFGOFTBKFUKO-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide (CID 2676752) is 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2ccccc2F)cc1I.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide?
The InChIKey is CHUFGOFTBKFUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO/c1-10-6-7-12(9-14(10)17)18-15(19)8-11-4-2-3-5-13(11)16/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide?
2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide has a molecular weight of 369.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide is sourced from PubChem (CID 2676752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).