3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide

C23H16N4O6 — CID 55334448

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H16N4O6/c28-20(24-25-21(29)16-7-4-8-17(12-16)27(32)33)15-6-3-5-14(11-15)13-26-22(30)18-9-1-2-10-19(18)23(26)31/h1-12H,13H2,(H,24,28)(H,25,29)
InChIKeyOPEMZWPFIHYGAT-UHFFFAOYSA-N
MW444.40 g/mol
LogP2.47
Rot. Bonds5

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 55334448) has the molecular formula C23H16N4O6 and a molecular weight of 444.40 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID55334448
Molecular FormulaC23H16N4O6
Molecular Weight444.40 g/mol
Exact Mass444.11
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H16N4O6/c28-20(24-25-21(29)16-7-4-8-17(12-16)27(32)33)15-6-3-5-14(11-15)13-26-22(30)18-9-1-2-10-19(18)23(26)31/h1-12H,13H2,(H,24,28)(H,25,29)
InChIKeyOPEMZWPFIHYGAT-UHFFFAOYSA-N
XLogP2.47
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)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

2-benzyl-5-(3-nitrobenzoyl)isoindole-1,3-dione
CID 17362764
N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
CID 9330916
4-bromo-N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 55406062
[1-(3-nitroanilino)-1-oxopropan-2-yl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 46796317
2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 27662653
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-nitrobenzamide
CID 22779833
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
2-(1,3-dioxoisoindol-2-yl)ethyl 3-nitrobenzoate
CID 2568002
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide (CID 55334448) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is OPEMZWPFIHYGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O6/c28-20(24-25-21(29)16-7-4-8-17(12-16)27(32)33)15-6-3-5-14(11-15)13-26-22(30)18-9-1-2-10-19(18)23(26)31/h1-12H,13H2,(H,24,28)(H,25,29).
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 444.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 55334448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).