2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide

C15H8F3IN4O — CID 140506406

IUPAC2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide
SMILESN#Cc1cc(NN=C(C(N)=O)c2ccc(I)c(F)c2F)ccc1F
InChIInChI=1S/C15H8F3IN4O/c16-10-3-1-8(5-7(10)6-20)22-23-14(15(21)24)9-2-4-11(19)13(18)12(9)17/h1-5,22H,(H2,21,24)
InChIKeyDGGBSPSGDUWQLL-UHFFFAOYSA-N
MW444.15 g/mol
LogP2.88
Rot. Bonds4

About 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide

2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide (PubChem CID 140506406) has the molecular formula C15H8F3IN4O and a molecular weight of 444.15 g/mol. Its IUPAC name is 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide
PubChem CID140506406
Molecular FormulaC15H8F3IN4O
Molecular Weight444.15 g/mol
Exact Mass443.97
IUPAC Name2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide
SMILESN#Cc1cc(NN=C(C(N)=O)c2ccc(I)c(F)c2F)ccc1F
InChIInChI=1S/C15H8F3IN4O/c16-10-3-1-8(5-7(10)6-20)22-23-14(15(21)24)9-2-4-11(19)13(18)12(9)17/h1-5,22H,(H2,21,24)
InChIKeyDGGBSPSGDUWQLL-UHFFFAOYSA-N
XLogP2.88
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide (CID 140506406) is 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide is N#Cc1cc(NN=C(C(N)=O)c2ccc(I)c(F)c2F)ccc1F.
What is the InChIKey of 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide?
The InChIKey is DGGBSPSGDUWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3IN4O/c16-10-3-1-8(5-7(10)6-20)22-23-14(15(21)24)9-2-4-11(19)13(18)12(9)17/h1-5,22H,(H2,21,24).
What are the key properties of 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide?
2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide has a molecular weight of 444.15 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide is sourced from PubChem (CID 140506406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).