(5-fluoro-2-phenylphenyl)cyanamide

C13H9FN2 — CID 19089303

IUPAC(5-fluoro-2-phenylphenyl)cyanamide
SMILESN#CNc1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C13H9FN2/c14-11-6-7-12(13(8-11)16-9-15)10-4-2-1-3-5-10/h1-8,16H
InChIKeySODQUPXRSDKKHR-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.39
Rot. Bonds2

About (5-fluoro-2-phenylphenyl)cyanamide

(5-fluoro-2-phenylphenyl)cyanamide (PubChem CID 19089303) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is (5-fluoro-2-phenylphenyl)cyanamide.

Molecular Properties

Compound Name(5-fluoro-2-phenylphenyl)cyanamide
PubChem CID19089303
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name(5-fluoro-2-phenylphenyl)cyanamide
SMILESN#CNc1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C13H9FN2/c14-11-6-7-12(13(8-11)16-9-15)10-4-2-1-3-5-10/h1-8,16H
InChIKeySODQUPXRSDKKHR-UHFFFAOYSA-N
XLogP3.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-phenylphenyl)cyanamide?
The IUPAC name of (5-fluoro-2-phenylphenyl)cyanamide (CID 19089303) is (5-fluoro-2-phenylphenyl)cyanamide.
What is the SMILES notation for (5-fluoro-2-phenylphenyl)cyanamide?
The canonical SMILES for (5-fluoro-2-phenylphenyl)cyanamide is N#CNc1cc(F)ccc1-c1ccccc1.
What is the InChIKey of (5-fluoro-2-phenylphenyl)cyanamide?
The InChIKey is SODQUPXRSDKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-11-6-7-12(13(8-11)16-9-15)10-4-2-1-3-5-10/h1-8,16H.
What are the key properties of (5-fluoro-2-phenylphenyl)cyanamide?
(5-fluoro-2-phenylphenyl)cyanamide has a molecular weight of 212.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-phenylphenyl)cyanamide is sourced from PubChem (CID 19089303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).