N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide

C15H7F6N3O — CID 139012323

IUPACN'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide
SMILESN#Cc1ccc(NNC(=O)c2cc(F)c(F)c(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H7F6N3O/c16-10-4-8(5-11(17)13(10)18)14(25)24-23-12-2-1-7(6-22)3-9(12)15(19,20)21/h1-5,23H,(H,24,25)
InChIKeyXIKMGVPPXMJLCD-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.75
Rot. Bonds3

About N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide

N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide (PubChem CID 139012323) has the molecular formula C15H7F6N3O and a molecular weight of 359.23 g/mol. Its IUPAC name is N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide
PubChem CID139012323
Molecular FormulaC15H7F6N3O
Molecular Weight359.23 g/mol
Exact Mass359.05
IUPAC NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide
SMILESN#Cc1ccc(NNC(=O)c2cc(F)c(F)c(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H7F6N3O/c16-10-4-8(5-11(17)13(10)18)14(25)24-23-12-2-1-7(6-22)3-9(12)15(19,20)21/h1-5,23H,(H,24,25)
InChIKeyXIKMGVPPXMJLCD-UHFFFAOYSA-N
XLogP3.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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 N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide?
The IUPAC name of N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide (CID 139012323) is N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide.
What is the SMILES notation for N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide?
The canonical SMILES for N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide is N#Cc1ccc(NNC(=O)c2cc(F)c(F)c(F)c2)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide?
The InChIKey is XIKMGVPPXMJLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O/c16-10-4-8(5-11(17)13(10)18)14(25)24-23-12-2-1-7(6-22)3-9(12)15(19,20)21/h1-5,23H,(H,24,25).
What are the key properties of N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide?
N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide has a molecular weight of 359.23 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide is sourced from PubChem (CID 139012323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).