N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide

C16H12F3N3O2 — CID 139012336

IUPACN'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c1-24-12-5-3-11(4-6-12)15(23)22-21-14-7-2-10(9-20)8-13(14)16(17,18)19/h2-8,21H,1H3,(H,22,23)
InChIKeyVGTILWXIQHETQB-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.34
Rot. Bonds4

About N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide

N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide (PubChem CID 139012336) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide
PubChem CID139012336
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c1-24-12-5-3-11(4-6-12)15(23)22-21-14-7-2-10(9-20)8-13(14)16(17,18)19/h2-8,21H,1H3,(H,22,23)
InChIKeyVGTILWXIQHETQB-UHFFFAOYSA-N
XLogP3.34
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.34
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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Related Compounds

N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide
CID 139012294
N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide
CID 139012323
N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide
CID 139012317
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
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
2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 70065817
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613
methyl 2-[4-cyano-2-(trifluoromethyl)phenyl]acetate
CID 171028603

Frequently Asked Questions

What is the IUPAC name of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide (CID 139012336) is N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1.
What is the InChIKey of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide?
The InChIKey is VGTILWXIQHETQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-24-12-5-3-11(4-6-12)15(23)22-21-14-7-2-10(9-20)8-13(14)16(17,18)19/h2-8,21H,1H3,(H,22,23).
What are the key properties of N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide?
N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide has a molecular weight of 335.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 139012336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).