2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide

C15H11F3INO — CID 10938344

IUPAC2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(C(=O)C(F)(F)F)c2ccc(I)cc2)c1
InChIInChI=1S/C15H11F3INO/c1-10-3-2-4-13(9-10)20(14(21)15(16,17)18)12-7-5-11(19)6-8-12/h2-9H,1H3
InChIKeyJUXWGVCYLBXXBR-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.83
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide

2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide (PubChem CID 10938344) has the molecular formula C15H11F3INO and a molecular weight of 405.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide
PubChem CID10938344
Molecular FormulaC15H11F3INO
Molecular Weight405.16 g/mol
Exact Mass404.98
IUPAC Name2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(C(=O)C(F)(F)F)c2ccc(I)cc2)c1
InChIInChI=1S/C15H11F3INO/c1-10-3-2-4-13(9-10)20(14(21)15(16,17)18)12-7-5-11(19)6-8-12/h2-9H,1H3
InChIKeyJUXWGVCYLBXXBR-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.83
H-Bond Donors ≤ 50
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 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide (CID 10938344) is 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide is Cc1cccc(N(C(=O)C(F)(F)F)c2ccc(I)cc2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide?
The InChIKey is JUXWGVCYLBXXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3INO/c1-10-3-2-4-13(9-10)20(14(21)15(16,17)18)12-7-5-11(19)6-8-12/h2-9H,1H3.
What are the key properties of 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide?
2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide has a molecular weight of 405.16 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-iodophenyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 10938344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).