N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide

C22H18N4O5 — CID 135457881

IUPACN-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide
SMILESO=C(Nc1cc2c(oc1=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1
InChIInChI=1S/C22H18N4O5/c27-21(14-5-2-1-3-6-14)23-19-13-15-7-4-8-18(20(15)31-22(19)28)25-24-16-9-11-17(12-10-16)26(29)30/h1-3,5-6,9-13,24H,4,7-8H2,(H,23,27)/b25-18+
InChIKeyMARVYPXRNKTSTQ-XIEYBQDHSA-N
MW418.41 g/mol
LogP3.95
Rot. Bonds5

About N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide

N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide (PubChem CID 135457881) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide.

Molecular Properties

Compound NameN-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide
PubChem CID135457881
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC NameN-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide
SMILESO=C(Nc1cc2c(oc1=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1
InChIInChI=1S/C22H18N4O5/c27-21(14-5-2-1-3-6-14)23-19-13-15-7-4-8-18(20(15)31-22(19)28)25-24-16-9-11-17(12-10-16)26(29)30/h1-3,5-6,9-13,24H,4,7-8H2,(H,23,27)/b25-18+
InChIKeyMARVYPXRNKTSTQ-XIEYBQDHSA-N
XLogP3.95
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.95
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'}

Analyze N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide 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

(4E)-3-methyl-N'-(4-nitrobenzoyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161881
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
(4E)-N-benzyl-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159140
4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide
CID 15999780
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048
(4E)-N-(3,4-dimethylphenyl)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159129
(4E)-N-(2,5-dimethoxyphenyl)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159101
3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 4861025
N-[(Z)-[(2R,3R)-2-nitro-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-ylidene]amino]aniline
CID 98152730
potassium (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19159209
N-(cyclohexylideneamino)-4-nitroaniline
CID 616169
(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
CID 6251364

Frequently Asked Questions

What is the IUPAC name of N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide?
The IUPAC name of N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide (CID 135457881) is N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide.
What is the SMILES notation for N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide?
The canonical SMILES for N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide is O=C(Nc1cc2c(oc1=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1.
What is the InChIKey of N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide?
The InChIKey is MARVYPXRNKTSTQ-XIEYBQDHSA-N. The full InChI is InChI=1S/C22H18N4O5/c27-21(14-5-2-1-3-6-14)23-19-13-15-7-4-8-18(20(15)31-22(19)28)25-24-16-9-11-17(12-10-16)26(29)30/h1-3,5-6,9-13,24H,4,7-8H2,(H,23,27)/b25-18+.
What are the key properties of N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide?
N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide has a molecular weight of 418.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8E)-8-[(4-nitrophenyl)hydrazinylidene]-2-oxo-6,7-dihydro-5H-chromen-3-yl]benzamide is sourced from PubChem (CID 135457881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).