(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide

C15H11N3O5 — CID 5373272

IUPAC(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c16-15(19)14(11-4-6-12(7-5-11)17(20)21)9-10-2-1-3-13(8-10)18(22)23/h1-9H,(H2,16,19)/b14-9+
InChIKeyISEBNJAHQVFEOE-NTEUORMPSA-N
MW313.27 g/mol
LogP2.53
Rot. Bonds5

About (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide

(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide (PubChem CID 5373272) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide
PubChem CID5373272
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c16-15(19)14(11-4-6-12(7-5-11)17(20)21)9-10-2-1-3-13(8-10)18(22)23/h1-9H,(H2,16,19)/b14-9+
InChIKeyISEBNJAHQVFEOE-NTEUORMPSA-N
XLogP2.53
TPSA129.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide 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

2,3-bis(4-nitrophenyl)prop-2-enamide
CID 141151082
(Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721309
N-[3-amino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
CID 1333211
3-(3-nitrophenyl)prop-2-enamide
CID 692292
(Z)-2-(3-fluoro-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721319
(Z)-2-methyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 102180856
(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2269158
(Z)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1334103
3-(3-nitrophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 3291683
4-(3-nitrophenyl)-3-pyrimidin-2-ylbut-3-en-2-one
CID 54092816
(2E)-N-(4-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxobutanamide
CID 7912090
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide (CID 5373272) is (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide is NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide?
The InChIKey is ISEBNJAHQVFEOE-NTEUORMPSA-N. The full InChI is InChI=1S/C15H11N3O5/c16-15(19)14(11-4-6-12(7-5-11)17(20)21)9-10-2-1-3-13(8-10)18(22)23/h1-9H,(H2,16,19)/b14-9+.
What are the key properties of (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide?
(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide has a molecular weight of 313.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5373272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).