N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide

C18H14N4O6 — CID 17360257

IUPACN'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H14N4O6/c23-15(19-20-16(24)11-4-2-1-3-5-11)8-9-21-17(25)13-7-6-12(22(27)28)10-14(13)18(21)26/h1-7,10H,8-9H2,(H,19,23)(H,20,24)
InChIKeyVOLMXPNAMRBCOR-UHFFFAOYSA-N
MW382.33 g/mol
LogP1.04
Rot. Bonds5

About N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide

N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide (PubChem CID 17360257) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
PubChem CID17360257
Molecular FormulaC18H14N4O6
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC NameN'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H14N4O6/c23-15(19-20-16(24)11-4-2-1-3-5-11)8-9-21-17(25)13-7-6-12(22(27)28)10-14(13)18(21)26/h1-7,10H,8-9H2,(H,19,23)(H,20,24)
InChIKeyVOLMXPNAMRBCOR-UHFFFAOYSA-N
XLogP1.04
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.04
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'}

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Related Compounds

N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
N-(4-chlorophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 17297181
6-(5-nitro-1,3-dioxoisoindol-2-yl)hexanoic acid
CID 3089465
2-(4-bromo-3-oxobutyl)-5-nitroisoindole-1,3-dione
CID 15939488
N-methyl-4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide
CID 3318291
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-nitrophenolate
CID 7375552
N-(2-methyl-3-nitrophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 17358854
3-[[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]methyl]benzoic acid
CID 108745385
N'-[3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoyl]-4-nitrobenzohydrazide
CID 3095996
2-(4-bromobutyl)-5-nitroisoindole-1,3-dione
CID 2735540
sodium 6-(5-nitro-1,3-dioxoisoindol-2-yl)hexanoate
CID 24940938
potassium 6-(5-nitro-1,3-dioxoisoindol-2-yl)hexanoate
CID 24940918

Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide (CID 17360257) is N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide is O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The InChIKey is VOLMXPNAMRBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O6/c23-15(19-20-16(24)11-4-2-1-3-5-11)8-9-21-17(25)13-7-6-12(22(27)28)10-14(13)18(21)26/h1-7,10H,8-9H2,(H,19,23)(H,20,24).
What are the key properties of N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide has a molecular weight of 382.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 17360257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).