(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride

C15H7Cl3F3N3 — CID 18471607

IUPAC(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
SMILESN#Cc1ccc(/C(Cl)=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H7Cl3F3N3/c16-11-5-10(15(19,20)21)6-12(17)13(11)23-24-14(18)9-3-1-8(7-22)2-4-9/h1-6,23H/b24-14-
InChIKeyHBDLEAMVAIHZHK-OYKKKHCWSA-N
MW392.60 g/mol
LogP5.90
Rot. Bonds3

About (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride

(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride (PubChem CID 18471607) has the molecular formula C15H7Cl3F3N3 and a molecular weight of 392.60 g/mol. Its IUPAC name is (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
PubChem CID18471607
Molecular FormulaC15H7Cl3F3N3
Molecular Weight392.60 g/mol
Exact Mass390.97
IUPAC Name(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
SMILESN#Cc1ccc(/C(Cl)=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H7Cl3F3N3/c16-11-5-10(15(19,20)21)6-12(17)13(11)23-24-14(18)9-3-1-8(7-22)2-4-9/h1-6,23H/b24-14-
InChIKeyHBDLEAMVAIHZHK-OYKKKHCWSA-N
XLogP5.90
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride (CID 18471607) is (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride is N#Cc1ccc(/C(Cl)=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
The InChIKey is HBDLEAMVAIHZHK-OYKKKHCWSA-N. The full InChI is InChI=1S/C15H7Cl3F3N3/c16-11-5-10(15(19,20)21)6-12(17)13(11)23-24-14(18)9-3-1-8(7-22)2-4-9/h1-6,23H/b24-14-.
What are the key properties of (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
(1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride has a molecular weight of 392.60 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-cyano-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 18471607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).