N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide

C13H15F3N2O2 — CID 39951306

IUPACN'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8(2)7-11(19)17-18-12(20)9-5-3-4-6-10(9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFDWKSKOJHVZPOK-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.51
Rot. Bonds3

About N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide

N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide (PubChem CID 39951306) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
PubChem CID39951306
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8(2)7-11(19)17-18-12(20)9-5-3-4-6-10(9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFDWKSKOJHVZPOK-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide
CID 18121246
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
3,3-dimethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 113318830
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
methyl 2-(trifluoromethyl)benzoate
CID 2775578
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
CID 4807808

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide (CID 39951306) is N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide is CC(C)CC(=O)NNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide?
The InChIKey is FDWKSKOJHVZPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(2)7-11(19)17-18-12(20)9-5-3-4-6-10(9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide?
N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide has a molecular weight of 288.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 39951306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).