2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide

C21H17FN2 — CID 175026148

IUPAC2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide
SMILESN/C(=N\c1ccccc1)c1ccccc1C=Cc1ccc(F)cc1
InChIInChI=1S/C21H17FN2/c22-18-14-11-16(12-15-18)10-13-17-6-4-5-9-20(17)21(23)24-19-7-2-1-3-8-19/h1-15H,(H2,23,24)
InChIKeyJQIKDQKEMAFHHP-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.03
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide

2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide (PubChem CID 175026148) has the molecular formula C21H17FN2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide
PubChem CID175026148
Molecular FormulaC21H17FN2
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide
SMILESN/C(=N\c1ccccc1)c1ccccc1C=Cc1ccc(F)cc1
InChIInChI=1S/C21H17FN2/c22-18-14-11-16(12-15-18)10-13-17-6-4-5-9-20(17)21(23)24-19-7-2-1-3-8-19/h1-15H,(H2,23,24)
InChIKeyJQIKDQKEMAFHHP-UHFFFAOYSA-N
XLogP5.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.03
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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide (CID 175026148) is 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide is N/C(=N\c1ccccc1)c1ccccc1C=Cc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide?
The InChIKey is JQIKDQKEMAFHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2/c22-18-14-11-16(12-15-18)10-13-17-6-4-5-9-20(17)21(23)24-19-7-2-1-3-8-19/h1-15H,(H2,23,24).
What are the key properties of 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide?
2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide has a molecular weight of 316.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 175026148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).