N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide

C15H10F2N2O4 — CID 2526877

IUPACN'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H10F2N2O4/c16-9-2-3-10(11(17)6-9)15(21)19-18-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeySUKGEVJJSOZRHT-UHFFFAOYSA-N
MW320.25 g/mol
LogP1.77
Rot. Bonds2

About N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide

N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide (PubChem CID 2526877) has the molecular formula C15H10F2N2O4 and a molecular weight of 320.25 g/mol. Its IUPAC name is N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
PubChem CID2526877
Molecular FormulaC15H10F2N2O4
Molecular Weight320.25 g/mol
Exact Mass320.06
IUPAC NameN'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H10F2N2O4/c16-9-2-3-10(11(17)6-9)15(21)19-18-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeySUKGEVJJSOZRHT-UHFFFAOYSA-N
XLogP1.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide (CID 2526877) is N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide is O=C(NNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is SUKGEVJJSOZRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4/c16-9-2-3-10(11(17)6-9)15(21)19-18-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 320.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 2526877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).