N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide

C25H19FN4O6 — CID 3430216

IUPACN-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(Cc1ccccc1)NN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C25H19FN4O6/c26-18-7-4-8-20(14-18)28-23(32)15-21(25(28)34)29(27-22(31)13-16-5-2-1-3-6-16)24(33)17-9-11-19(12-10-17)30(35)36/h1-12,14,21H,13,15H2,(H,27,31)
InChIKeyIPBWNDLJWCXPKB-UHFFFAOYSA-N
MW490.45 g/mol
LogP2.78
Rot. Bonds6

About N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide

N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 3430216) has the molecular formula C25H19FN4O6 and a molecular weight of 490.45 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
PubChem CID3430216
Molecular FormulaC25H19FN4O6
Molecular Weight490.45 g/mol
Exact Mass490.13
IUPAC NameN-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(Cc1ccccc1)NN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C25H19FN4O6/c26-18-7-4-8-20(14-18)28-23(32)15-21(25(28)34)29(27-22(31)13-16-5-2-1-3-6-16)24(33)17-9-11-19(12-10-17)30(35)36/h1-12,14,21H,13,15H2,(H,27,31)
InChIKeyIPBWNDLJWCXPKB-UHFFFAOYSA-N
XLogP2.78
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)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-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 5033463
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 4211772
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitrobenzamide
CID 23745335
N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
CID 3294111
[4-[3-[(4-nitrobenzoyl)-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23944531
methyl 4-[3-[(4-fluorophenyl)methyl-(4-nitrobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23916563
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(4-methoxybenzoyl)-2-nitrobenzohydrazide
CID 4597658
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23888543
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 23944483
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
ethyl N-[benzoyl-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 4590585

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide (CID 3430216) is N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide is O=C(Cc1ccccc1)NN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2cccc(F)c2)C1=O.
What is the InChIKey of N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is IPBWNDLJWCXPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O6/c26-18-7-4-8-20(14-18)28-23(32)15-21(25(28)34)29(27-22(31)13-16-5-2-1-3-6-16)24(33)17-9-11-19(12-10-17)30(35)36/h1-12,14,21H,13,15H2,(H,27,31).
What are the key properties of N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide?
N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 490.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 3430216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).