N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide

C15H11F3N2O3 — CID 75404256

IUPACN'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1cccc2c1OCO2
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-5-1-2-6-11(10)19-20-14(21)9-4-3-7-12-13(9)23-8-22-12/h1-7,19H,8H2,(H,20,21)
InChIKeyYYYZTUUHCAUEJA-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.19
Rot. Bonds3

About N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide

N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide (PubChem CID 75404256) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide
PubChem CID75404256
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC NameN'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1cccc2c1OCO2
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-5-1-2-6-11(10)19-20-14(21)9-4-3-7-12-13(9)23-8-22-12/h1-7,19H,8H2,(H,20,21)
InChIKeyYYYZTUUHCAUEJA-UHFFFAOYSA-N
XLogP3.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.19
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-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
CID 126766305
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55820000
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
[2-(trifluoromethyl)anilino]urea
CID 141255172
2-(1,3-benzodioxole-4-carbonylamino)-2-methylpropanoic acid
CID 110834795
4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55343394
1,3-benzodioxole-4-carboxylate
CID 6946476
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1,3-benzodioxole-4-carboxamide
CID 55855159
2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
CID 55884147
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 55835583
N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide
CID 55912817
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide (CID 75404256) is N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide is O=C(NNc1ccccc1C(F)(F)F)c1cccc2c1OCO2.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide?
The InChIKey is YYYZTUUHCAUEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)10-5-1-2-6-11(10)19-20-14(21)9-4-3-7-12-13(9)23-8-22-12/h1-7,19H,8H2,(H,20,21).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide?
N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide has a molecular weight of 324.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide is sourced from PubChem (CID 75404256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).