(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide

C24H21N5O6 — CID 171980690

IUPAC(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
SMILESC/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H21N5O6/c1-16(13-23(30)25-21-10-6-5-9-20(21)17-7-3-2-4-8-17)26-27-24(31)14-18-11-12-19(28(32)33)15-22(18)29(34)35/h2-12,15H,13-14H2,1H3,(H,25,30)(H,27,31)/b26-16+
InChIKeyDANMDZQEEISBGR-WGOQTCKBSA-N
MW475.46 g/mol
LogP4.23
Rot. Bonds9

About (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide

(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide (PubChem CID 171980690) has the molecular formula C24H21N5O6 and a molecular weight of 475.46 g/mol. Its IUPAC name is (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
PubChem CID171980690
Molecular FormulaC24H21N5O6
Molecular Weight475.46 g/mol
Exact Mass475.15
IUPAC Name(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
SMILESC/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H21N5O6/c1-16(13-23(30)25-21-10-6-5-9-20(21)17-7-3-2-4-8-17)26-27-24(31)14-18-11-12-19(28(32)33)15-22(18)29(34)35/h2-12,15H,13-14H2,1H3,(H,25,30)(H,27,31)/b26-16+
InChIKeyDANMDZQEEISBGR-WGOQTCKBSA-N
XLogP4.23
TPSA156.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 4189831
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(1-phenylethyl)butanamide
CID 5202497
(3E)-N-tert-butyl-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
CID 46501466
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
(3Z)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 98156361
(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
CID 6229292
N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6039314
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 6053942
(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 6142780
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 4187201
2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4298225

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The IUPAC name of (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide (CID 171980690) is (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide.
What is the SMILES notation for (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The canonical SMILES for (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide is C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The InChIKey is DANMDZQEEISBGR-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H21N5O6/c1-16(13-23(30)25-21-10-6-5-9-20(21)17-7-3-2-4-8-17)26-27-24(31)14-18-11-12-19(28(32)33)15-22(18)29(34)35/h2-12,15H,13-14H2,1H3,(H,25,30)(H,27,31)/b26-16+.
What are the key properties of (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide has a molecular weight of 475.46 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide is sourced from PubChem (CID 171980690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).