4-methyl-3-(trifluoromethyl)benzohydrazide

C9H9F3N2O — CID 58139383

IUPAC4-methyl-3-(trifluoromethyl)benzohydrazide
SMILESCc1ccc(C(=O)NN)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-5-2-3-6(8(15)14-13)4-7(5)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyNPORRGMQJXJHEJ-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.62
Rot. Bonds1

About 4-methyl-3-(trifluoromethyl)benzohydrazide

4-methyl-3-(trifluoromethyl)benzohydrazide (PubChem CID 58139383) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)benzohydrazide
PubChem CID58139383
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name4-methyl-3-(trifluoromethyl)benzohydrazide
SMILESCc1ccc(C(=O)NN)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-5-2-3-6(8(15)14-13)4-7(5)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyNPORRGMQJXJHEJ-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-3-(trifluoromethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 133059973
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
3-iodo-4-methylbenzohydrazide
CID 59732500
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide
CID 146437908
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
1-amino-2-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 116510520
3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide
CID 118443940
4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide
CID 130277544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-methyl-3-(trifluoromethyl)benzohydrazide (CID 58139383) is 4-methyl-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)benzohydrazide is Cc1ccc(C(=O)NN)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)benzohydrazide?
The InChIKey is NPORRGMQJXJHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5-2-3-6(8(15)14-13)4-7(5)9(10,11)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 4-methyl-3-(trifluoromethyl)benzohydrazide?
4-methyl-3-(trifluoromethyl)benzohydrazide has a molecular weight of 218.18 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 58139383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).