N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide

C19H17N3O4 — CID 8879643

IUPACN'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-2-12-7-9-13(10-8-12)17(24)21-20-16(23)11-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyPBDAVGINAUFARI-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.31
Rot. Bonds4

About N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide

N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide (PubChem CID 8879643) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide
PubChem CID8879643
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-2-12-7-9-13(10-8-12)17(24)21-20-16(23)11-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyPBDAVGINAUFARI-UHFFFAOYSA-N
XLogP1.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide 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

4-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamoyl]benzoic acid
CID 21108836
4-ethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 78791798
4-ethyl-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
CID 16605618
4-ethyl-N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]benzohydrazide
CID 24978772
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
ethyl N-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamate
CID 594911
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 8915094
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796434
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796440
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide (CID 8879643) is N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide?
The InChIKey is PBDAVGINAUFARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-12-7-9-13(10-8-12)17(24)21-20-16(23)11-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide?
N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide has a molecular weight of 351.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide is sourced from PubChem (CID 8879643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).