N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide

C14H12FIN2 — CID 154719418

IUPACN'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1ccc(I)cc1F)Nc1ccccc1
InChIInChI=1S/C14H12FIN2/c1-10(17-12-5-3-2-4-6-12)18-14-8-7-11(16)9-13(14)15/h2-9H,1H3,(H,17,18)
InChIKeyQYXLPPZGEMLZSZ-UHFFFAOYSA-N
MW354.17 g/mol
LogP4.59
Rot. Bonds2

About N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide

N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide (PubChem CID 154719418) has the molecular formula C14H12FIN2 and a molecular weight of 354.17 g/mol. Its IUPAC name is N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide.

Molecular Properties

Compound NameN'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide
PubChem CID154719418
Molecular FormulaC14H12FIN2
Molecular Weight354.17 g/mol
Exact Mass354.00
IUPAC NameN'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1ccc(I)cc1F)Nc1ccccc1
InChIInChI=1S/C14H12FIN2/c1-10(17-12-5-3-2-4-6-12)18-14-8-7-11(16)9-13(14)15/h2-9H,1H3,(H,17,18)
InChIKeyQYXLPPZGEMLZSZ-UHFFFAOYSA-N
XLogP4.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide?
The IUPAC name of N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide (CID 154719418) is N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide.
What is the SMILES notation for N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide?
The canonical SMILES for N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide is C/C(=N\c1ccc(I)cc1F)Nc1ccccc1.
What is the InChIKey of N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide?
The InChIKey is QYXLPPZGEMLZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2/c1-10(17-12-5-3-2-4-6-12)18-14-8-7-11(16)9-13(14)15/h2-9H,1H3,(H,17,18).
What are the key properties of N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide?
N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide has a molecular weight of 354.17 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide is sourced from PubChem (CID 154719418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).