N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide

C25H20N4O7 — CID 3294111

IUPACN'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
SMILESCOc1cccc(N2C(=O)CC(N(NC(=O)c3ccccc3[N+](=O)[O-])C(=O)c3ccccc3)C2=O)c1
InChIInChI=1S/C25H20N4O7/c1-36-18-11-7-10-17(14-18)27-22(30)15-21(25(27)33)28(24(32)16-8-3-2-4-9-16)26-23(31)19-12-5-6-13-20(19)29(34)35/h2-14,21H,15H2,1H3,(H,26,31)
InChIKeyLOFAVQCNKWIPGN-UHFFFAOYSA-N
MW488.46 g/mol
LogP2.72
Rot. Bonds6

About N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide

N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide (PubChem CID 3294111) has the molecular formula C25H20N4O7 and a molecular weight of 488.46 g/mol. Its IUPAC name is N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
PubChem CID3294111
Molecular FormulaC25H20N4O7
Molecular Weight488.46 g/mol
Exact Mass488.13
IUPAC NameN'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
SMILESCOc1cccc(N2C(=O)CC(N(NC(=O)c3ccccc3[N+](=O)[O-])C(=O)c3ccccc3)C2=O)c1
InChIInChI=1S/C25H20N4O7/c1-36-18-11-7-10-17(14-18)27-22(30)15-21(25(27)33)28(24(32)16-8-3-2-4-9-16)26-23(31)19-12-5-6-13-20(19)29(34)35/h2-14,21H,15H2,1H3,(H,26,31)
InChIKeyLOFAVQCNKWIPGN-UHFFFAOYSA-N
XLogP2.72
TPSA139.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(4-methoxybenzoyl)-2-nitrobenzohydrazide
CID 4597658
N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylbutanoyl)-2-nitrobenzohydrazide
CID 4528874
ethyl N-[benzoyl-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 4590585
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
2-fluoro-N'-(4-methoxybenzoyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3975852
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-nitrobenzamide
CID 7548187
N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitro-N'-propanoylbenzohydrazide
CID 3322181
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N'-propanoylbenzohydrazide
CID 3969845
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide
CID 4208372

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide?
The IUPAC name of N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide (CID 3294111) is N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide?
The canonical SMILES for N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide is COc1cccc(N2C(=O)CC(N(NC(=O)c3ccccc3[N+](=O)[O-])C(=O)c3ccccc3)C2=O)c1.
What is the InChIKey of N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide?
The InChIKey is LOFAVQCNKWIPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O7/c1-36-18-11-7-10-17(14-18)27-22(30)15-21(25(27)33)28(24(32)16-8-3-2-4-9-16)26-23(31)19-12-5-6-13-20(19)29(34)35/h2-14,21H,15H2,1H3,(H,26,31).
What are the key properties of N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide?
N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide has a molecular weight of 488.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide is sourced from PubChem (CID 3294111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).