[4-[4-(cyanoamino)phenyl]phenyl]cyanamide

C14H10N4 — CID 12974293

IUPAC[4-[4-(cyanoamino)phenyl]phenyl]cyanamide
SMILESN#CNc1ccc(-c2ccc(NC#N)cc2)cc1
InChIInChI=1S/C14H10N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-8,17-18H
InChIKeyOEHUKUCNBVFUEO-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.14
Rot. Bonds3

About [4-[4-(cyanoamino)phenyl]phenyl]cyanamide

[4-[4-(cyanoamino)phenyl]phenyl]cyanamide (PubChem CID 12974293) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is [4-[4-(cyanoamino)phenyl]phenyl]cyanamide.

Molecular Properties

Compound Name[4-[4-(cyanoamino)phenyl]phenyl]cyanamide
PubChem CID12974293
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name[4-[4-(cyanoamino)phenyl]phenyl]cyanamide
SMILESN#CNc1ccc(-c2ccc(NC#N)cc2)cc1
InChIInChI=1S/C14H10N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-8,17-18H
InChIKeyOEHUKUCNBVFUEO-UHFFFAOYSA-N
XLogP3.14
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-[4-(cyanoamino)phenyl]phenyl]cyanamide?
The IUPAC name of [4-[4-(cyanoamino)phenyl]phenyl]cyanamide (CID 12974293) is [4-[4-(cyanoamino)phenyl]phenyl]cyanamide.
What is the SMILES notation for [4-[4-(cyanoamino)phenyl]phenyl]cyanamide?
The canonical SMILES for [4-[4-(cyanoamino)phenyl]phenyl]cyanamide is N#CNc1ccc(-c2ccc(NC#N)cc2)cc1.
What is the InChIKey of [4-[4-(cyanoamino)phenyl]phenyl]cyanamide?
The InChIKey is OEHUKUCNBVFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-8,17-18H.
What are the key properties of [4-[4-(cyanoamino)phenyl]phenyl]cyanamide?
[4-[4-(cyanoamino)phenyl]phenyl]cyanamide has a molecular weight of 234.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyanoamino)phenyl]phenyl]cyanamide is sourced from PubChem (CID 12974293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).