[4-(N-cyanoanilino)phenyl]-phenylcyanamide

C20H14N4 — CID 21331386

IUPAC[4-(N-cyanoanilino)phenyl]-phenylcyanamide
SMILESN#CN(c1ccccc1)c1ccc(N(C#N)c2ccccc2)cc1
InChIInChI=1S/C20H14N4/c21-15-23(17-7-3-1-4-8-17)19-11-13-20(14-12-19)24(16-22)18-9-5-2-6-10-18/h1-14H
InChIKeyWVVRXSMSRKSVJW-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.92
Rot. Bonds4

About [4-(N-cyanoanilino)phenyl]-phenylcyanamide

[4-(N-cyanoanilino)phenyl]-phenylcyanamide (PubChem CID 21331386) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is [4-(N-cyanoanilino)phenyl]-phenylcyanamide.

Molecular Properties

Compound Name[4-(N-cyanoanilino)phenyl]-phenylcyanamide
PubChem CID21331386
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name[4-(N-cyanoanilino)phenyl]-phenylcyanamide
SMILESN#CN(c1ccccc1)c1ccc(N(C#N)c2ccccc2)cc1
InChIInChI=1S/C20H14N4/c21-15-23(17-7-3-1-4-8-17)19-11-13-20(14-12-19)24(16-22)18-9-5-2-6-10-18/h1-14H
InChIKeyWVVRXSMSRKSVJW-UHFFFAOYSA-N
XLogP4.92
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
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-(N-cyanoanilino)phenyl]-phenylcyanamide?
The IUPAC name of [4-(N-cyanoanilino)phenyl]-phenylcyanamide (CID 21331386) is [4-(N-cyanoanilino)phenyl]-phenylcyanamide.
What is the SMILES notation for [4-(N-cyanoanilino)phenyl]-phenylcyanamide?
The canonical SMILES for [4-(N-cyanoanilino)phenyl]-phenylcyanamide is N#CN(c1ccccc1)c1ccc(N(C#N)c2ccccc2)cc1.
What is the InChIKey of [4-(N-cyanoanilino)phenyl]-phenylcyanamide?
The InChIKey is WVVRXSMSRKSVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c21-15-23(17-7-3-1-4-8-17)19-11-13-20(14-12-19)24(16-22)18-9-5-2-6-10-18/h1-14H.
What are the key properties of [4-(N-cyanoanilino)phenyl]-phenylcyanamide?
[4-(N-cyanoanilino)phenyl]-phenylcyanamide has a molecular weight of 310.36 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-cyanoanilino)phenyl]-phenylcyanamide is sourced from PubChem (CID 21331386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).