(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide

C22H16N6O5 — CID 135665102

IUPAC(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide
SMILESO=C(Nc1ccccc1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]c2ccccc12
InChIInChI=1S/C22H16N6O5/c29-22(24-14-6-2-1-3-7-14)21(17-13-23-18-9-5-4-8-16(17)18)26-25-19-11-10-15(27(30)31)12-20(19)28(32)33/h1-13,23,25H,(H,24,29)/b26-21-
InChIKeyVMCYWPNVDOJHSB-QLYXXIJNSA-N
MW444.41 g/mol
LogP4.44
Rot. Bonds7

About (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide

(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide (PubChem CID 135665102) has the molecular formula C22H16N6O5 and a molecular weight of 444.41 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide
PubChem CID135665102
Molecular FormulaC22H16N6O5
Molecular Weight444.41 g/mol
Exact Mass444.12
IUPAC Name(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide
SMILESO=C(Nc1ccccc1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]c2ccccc12
InChIInChI=1S/C22H16N6O5/c29-22(24-14-6-2-1-3-7-14)21(17-13-23-18-9-5-4-8-16(17)18)26-25-19-11-10-15(27(30)31)12-20(19)28(32)33/h1-13,23,25H,(H,24,29)/b26-21-
InChIKeyVMCYWPNVDOJHSB-QLYXXIJNSA-N
XLogP4.44
TPSA155.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.44
H-Bond Donors ≤ 53
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

(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N',N'-diphenylacetohydrazide
CID 135650486
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4-dinitroaniline
CID 135411855
2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid;hydrate
CID 45049886
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
2,4-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]aniline
CID 5385748
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782
2-(1H-indol-3-yl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 4279269
(2,4-dinitrophenyl)carbamic acid
CID 154114547
[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 5-anilino-5-oxopentanoate
CID 92652605
(Z)-2-cyano-3-(1H-indol-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 916320

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide?
The IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide (CID 135665102) is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide.
What is the SMILES notation for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide?
The canonical SMILES for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide is O=C(Nc1ccccc1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]c2ccccc12.
What is the InChIKey of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide?
The InChIKey is VMCYWPNVDOJHSB-QLYXXIJNSA-N. The full InChI is InChI=1S/C22H16N6O5/c29-22(24-14-6-2-1-3-7-14)21(17-13-23-18-9-5-4-8-16(17)18)26-25-19-11-10-15(27(30)31)12-20(19)28(32)33/h1-13,23,25H,(H,24,29)/b26-21-.
What are the key properties of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide?
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide has a molecular weight of 444.41 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-(1H-indol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 135665102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).