N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide

C17H15N3O3 — CID 6882762

IUPACN-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O3/c21-17(13-14-7-2-1-3-8-14)19-18-12-6-10-15-9-4-5-11-16(15)20(22)23/h1-12H,13H2,(H,19,21)/b10-6+,18-12+
InChIKeyXLKQVWPGAKEAGG-PDDUZAPNSA-N
MW309.33 g/mol
LogP2.95
Rot. Bonds6

About N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide

N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide (PubChem CID 6882762) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
PubChem CID6882762
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O3/c21-17(13-14-7-2-1-3-8-14)19-18-12-6-10-15-9-4-5-11-16(15)20(22)23/h1-12H,13H2,(H,19,21)/b10-6+,18-12+
InChIKeyXLKQVWPGAKEAGG-PDDUZAPNSA-N
XLogP2.95
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[(E)-(2-nitrophenyl)methylidene]benzohydrazide
CID 5332530
N'-(4-Nitrobenzylidene)benzohydrazide
CID 6861632
n'-(3-Nitrobenzylidene)benzohydrazide
CID 6861631
N'-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide
CID 6875560
CID 350423
CID 350423
4-Aminobenzoic acid 2-[(3-nitrophenyl)methylene]hydrazide
CID 711465
N'-(2-methyl-3-phenyl-2-propen-1-ylidene)-3-nitrobenzohydrazide
CID 5333962
N'-(2-nitrobenzylidene)-2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetohydrazide
CID 5343497
trans-(1R,2R)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5409608
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-nitrobenzamide
CID 5722162
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-YL)-N'-[(Z)-(2-nitrophenyl)methylidene]propanehydrazide
CID 5919957
4-amino-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]benzamide
CID 6291645

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide (CID 6882762) is N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
The InChIKey is XLKQVWPGAKEAGG-PDDUZAPNSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(13-14-7-2-1-3-8-14)19-18-12-6-10-15-9-4-5-11-16(15)20(22)23/h1-12H,13H2,(H,19,21)/b10-6+,18-12+.
What are the key properties of N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide has a molecular weight of 309.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 6882762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).