N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide

C16H12F2N2O5 — CID 43002109

IUPACN'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2O5/c17-16(18)25-11-4-1-9(2-5-11)14(21)19-20-15(22)10-3-6-12-13(7-10)24-8-23-12/h1-7,16H,8H2,(H,19,21)(H,20,22)
InChIKeyAMIQCHZJBSVGHZ-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.09
Rot. Bonds4

About N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 43002109) has the molecular formula C16H12F2N2O5 and a molecular weight of 350.28 g/mol. Its IUPAC name is N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID43002109
Molecular FormulaC16H12F2N2O5
Molecular Weight350.28 g/mol
Exact Mass350.07
IUPAC NameN'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2O5/c17-16(18)25-11-4-1-9(2-5-11)14(21)19-20-15(22)10-3-6-12-13(7-10)24-8-23-12/h1-7,16H,8H2,(H,19,21)(H,20,22)
InChIKeyAMIQCHZJBSVGHZ-UHFFFAOYSA-N
XLogP2.09
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide 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

N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide
CID 26798718
N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 42991318
N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide
CID 2623503
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401144
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 18117689
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-[2-[4-(difluoromethoxy)anilino]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55464322
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 35691422
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide (CID 43002109) is N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide is O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is AMIQCHZJBSVGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O5/c17-16(18)25-11-4-1-9(2-5-11)14(21)19-20-15(22)10-3-6-12-13(7-10)24-8-23-12/h1-7,16H,8H2,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 350.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 43002109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).