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

C16H11F4N3O — CID 139012294

IUPACN'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1F
InChIInChI=1S/C16H11F4N3O/c1-9-6-11(3-4-13(9)17)15(24)23-22-14-5-2-10(8-21)7-12(14)16(18,19)20/h2-7,22H,1H3,(H,23,24)
InChIKeyNPNVVZSBJGFIDE-UHFFFAOYSA-N
MW337.28 g/mol
LogP3.78
Rot. Bonds3

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

N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide (PubChem CID 139012294) has the molecular formula C16H11F4N3O and a molecular weight of 337.28 g/mol. Its IUPAC name is N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide
PubChem CID139012294
Molecular FormulaC16H11F4N3O
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1F
InChIInChI=1S/C16H11F4N3O/c1-9-6-11(3-4-13(9)17)15(24)23-22-14-5-2-10(8-21)7-12(14)16(18,19)20/h2-7,22H,1H3,(H,23,24)
InChIKeyNPNVVZSBJGFIDE-UHFFFAOYSA-N
XLogP3.78
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide
CID 139012323
N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide
CID 139012336
N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide
CID 139012317
2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide
CID 167748702
methyl 3-[[4-cyano-2-(trifluoromethyl)anilino]methyl]-4-fluorobenzoate
CID 133449606
N-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluoro-3-methylbenzamide
CID 58653870
4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzohydrazide
CID 169155589
4-cyano-N-methyl-2-(trifluoromethyl)benzamide
CID 58243803
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
4-fluoro-3-methylbenzonitrile
CID 2779180
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953

Frequently Asked Questions

What is the IUPAC name of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide?
The IUPAC name of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide (CID 139012294) is N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide.
What is the SMILES notation for N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide?
The canonical SMILES for N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide is Cc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1F.
What is the InChIKey of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide?
The InChIKey is NPNVVZSBJGFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O/c1-9-6-11(3-4-13(9)17)15(24)23-22-14-5-2-10(8-21)7-12(14)16(18,19)20/h2-7,22H,1H3,(H,23,24).
What are the key properties of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide?
N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide has a molecular weight of 337.28 g/mol, XLogP of 3.78, 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]-4-fluoro-3-methylbenzohydrazide is sourced from PubChem (CID 139012294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).