2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide

C10H6F3IN2O — CID 168524104

IUPAC2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(F)(F)F)cc1I
InChIInChI=1S/C10H6F3IN2O/c11-10(12,13)6-1-2-8(7(14)5-6)16-9(17)3-4-15/h1-2,5H,3H2,(H,16,17)
InChIKeyCBPAODDZGWJKOJ-UHFFFAOYSA-N
MW354.07 g/mol
LogP3.16
Rot. Bonds2

About 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide

2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 168524104) has the molecular formula C10H6F3IN2O and a molecular weight of 354.07 g/mol. Its IUPAC name is 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
PubChem CID168524104
Molecular FormulaC10H6F3IN2O
Molecular Weight354.07 g/mol
Exact Mass353.95
IUPAC Name2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(F)(F)F)cc1I
InChIInChI=1S/C10H6F3IN2O/c11-10(12,13)6-1-2-8(7(14)5-6)16-9(17)3-4-15/h1-2,5H,3H2,(H,16,17)
InChIKeyCBPAODDZGWJKOJ-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.07
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide (CID 168524104) is 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide is N#CCC(=O)Nc1ccc(C(F)(F)F)cc1I.
What is the InChIKey of 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CBPAODDZGWJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2O/c11-10(12,13)6-1-2-8(7(14)5-6)16-9(17)3-4-15/h1-2,5H,3H2,(H,16,17).
What are the key properties of 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 354.07 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 168524104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).