(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide

C16H7Cl2F3N4 — CID 18471601

IUPAC(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide
SMILESN#C/C(=N\Nc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H7Cl2F3N4/c17-12-5-11(16(19,20)21)6-13(18)15(12)25-24-14(8-23)10-3-1-9(7-22)2-4-10/h1-6,25H/b24-14+
InChIKeyYSZDBBWVLFFSKP-ZVHZXABRSA-N
MW383.16 g/mol
LogP5.22
Rot. Bonds3

About (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide

(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide (PubChem CID 18471601) has the molecular formula C16H7Cl2F3N4 and a molecular weight of 383.16 g/mol. Its IUPAC name is (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide.

Molecular Properties

Compound Name(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide
PubChem CID18471601
Molecular FormulaC16H7Cl2F3N4
Molecular Weight383.16 g/mol
Exact Mass382.00
IUPAC Name(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide
SMILESN#C/C(=N\Nc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H7Cl2F3N4/c17-12-5-11(16(19,20)21)6-13(18)15(12)25-24-14(8-23)10-3-1-9(7-22)2-4-10/h1-6,25H/b24-14+
InChIKeyYSZDBBWVLFFSKP-ZVHZXABRSA-N
XLogP5.22
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.16
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide?
The IUPAC name of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide (CID 18471601) is (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide.
What is the SMILES notation for (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide?
The canonical SMILES for (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide is N#C/C(=N\Nc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide?
The InChIKey is YSZDBBWVLFFSKP-ZVHZXABRSA-N. The full InChI is InChI=1S/C16H7Cl2F3N4/c17-12-5-11(16(19,20)21)6-13(18)15(12)25-24-14(8-23)10-3-1-9(7-22)2-4-10/h1-6,25H/b24-14+.
What are the key properties of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide?
(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide has a molecular weight of 383.16 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]benzenecarboximidoyl cyanide is sourced from PubChem (CID 18471601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).