1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone

C22H17N5O4 — CID 2749292

IUPAC1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone
SMILESO=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H17N5O4/c28-21(14-23-25-17-7-3-1-4-8-17)16-11-12-19(20(13-16)27(30)31)22(29)15-24-26-18-9-5-2-6-10-18/h1-15,25-26H
InChIKeyONPCEZRHCSYLMB-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.16
Rot. Bonds9

About 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone

1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone (PubChem CID 2749292) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone.

Molecular Properties

Compound Name1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone
PubChem CID2749292
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone
SMILESO=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H17N5O4/c28-21(14-23-25-17-7-3-1-4-8-17)16-11-12-19(20(13-16)27(30)31)22(29)15-24-26-18-9-5-2-6-10-18/h1-15,25-26H
InChIKeyONPCEZRHCSYLMB-UHFFFAOYSA-N
XLogP4.16
TPSA126.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone 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-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide
CID 163177552
(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
CID 12730139
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
CID 51138518
4-anilino-3-nitrobenzoic acid
CID 3824366
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2-[N-(3-chloroanilino)-C-(4-chloro-3-nitrophenyl)carbonimidoyl]benzoic acid
CID 3925943
4-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-nitrobenzamide
CID 840697
3-anilino-1-(2-nitrophenyl)but-2-en-1-one
CID 75609464
N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline
CID 169383782

Frequently Asked Questions

What is the IUPAC name of 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone?
The IUPAC name of 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone (CID 2749292) is 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone.
What is the SMILES notation for 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone?
The canonical SMILES for 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone is O=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone?
The InChIKey is ONPCEZRHCSYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c28-21(14-23-25-17-7-3-1-4-8-17)16-11-12-19(20(13-16)27(30)31)22(29)15-24-26-18-9-5-2-6-10-18/h1-15,25-26H.
What are the key properties of 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone?
1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone has a molecular weight of 415.41 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone is sourced from PubChem (CID 2749292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).