4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide

C16H15N3O3 — CID 2642178

IUPAC4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(N)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15N3O3/c1-10(12-4-7-14-15(8-12)22-9-21-14)18-19-16(20)11-2-5-13(17)6-3-11/h2-8,18H,1,9,17H2,(H,19,20)
InChIKeyYBIQBFKOBCBJGS-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.90
Rot. Bonds4

About 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide

4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide (PubChem CID 2642178) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide.

Molecular Properties

Compound Name4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide
PubChem CID2642178
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(N)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15N3O3/c1-10(12-4-7-14-15(8-12)22-9-21-14)18-19-16(20)11-2-5-13(17)6-3-11/h2-8,18H,1,9,17H2,(H,19,20)
InChIKeyYBIQBFKOBCBJGS-UHFFFAOYSA-N
XLogP1.90
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]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

N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 28894383
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 4789099
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39761126
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
N-(5-amino-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16771364
5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methylbenzenesulfonamide
CID 9084706
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
1-[1-(1,3-benzodioxol-5-yl)ethenylamino]-3-benzylthiourea
CID 2341739
1-(1,3-benzodioxole-5-carbonylamino)-3-(3,5-dimethylphenyl)thiourea
CID 4507102
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide?
The IUPAC name of 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide (CID 2642178) is 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide.
What is the SMILES notation for 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide?
The canonical SMILES for 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide is C=C(NNC(=O)c1ccc(N)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide?
The InChIKey is YBIQBFKOBCBJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10(12-4-7-14-15(8-12)22-9-21-14)18-19-16(20)11-2-5-13(17)6-3-11/h2-8,18H,1,9,17H2,(H,19,20).
What are the key properties of 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide?
4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide has a molecular weight of 297.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide is sourced from PubChem (CID 2642178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).