3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide

C16H7ClF4N4O — CID 169155595

IUPAC3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide
SMILESN#Cc1ccc(C(=O)NNc2ccc(C#N)c(F)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C16H7ClF4N4O/c17-11-5-8(1-2-9(11)6-22)15(26)25-24-12-4-3-10(7-23)14(18)13(12)16(19,20)21/h1-5,24H,(H,25,26)
InChIKeyPYMYMYMSNWLFCT-UHFFFAOYSA-N
MW382.70 g/mol
LogP4.00
Rot. Bonds3

About 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide

3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 169155595) has the molecular formula C16H7ClF4N4O and a molecular weight of 382.70 g/mol. Its IUPAC name is 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID169155595
Molecular FormulaC16H7ClF4N4O
Molecular Weight382.70 g/mol
Exact Mass382.02
IUPAC Name3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide
SMILESN#Cc1ccc(C(=O)NNc2ccc(C#N)c(F)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C16H7ClF4N4O/c17-11-5-8(1-2-9(11)6-22)15(26)25-24-12-4-3-10(7-23)14(18)13(12)16(19,20)21/h1-5,24H,(H,25,26)
InChIKeyPYMYMYMSNWLFCT-UHFFFAOYSA-N
XLogP4.00
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.70
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide (CID 169155595) is 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide is N#Cc1ccc(C(=O)NNc2ccc(C#N)c(F)c2C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is PYMYMYMSNWLFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF4N4O/c17-11-5-8(1-2-9(11)6-22)15(26)25-24-12-4-3-10(7-23)14(18)13(12)16(19,20)21/h1-5,24H,(H,25,26).
What are the key properties of 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide?
3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 382.70 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 169155595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).