2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline

C14H12N4O4 — CID 5378548

IUPAC2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12N4O4/c1-10(11-5-3-2-4-6-11)15-16-13-8-7-12(17(19)20)9-14(13)18(21)22/h2-9,16H,1H3/b15-10-
InChIKeyIMTAQIPVTJOORO-GDNBJRDFSA-N
MW300.27 g/mol
LogP3.34
Rot. Bonds5

About 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline

2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline (PubChem CID 5378548) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline.

Molecular Properties

Compound Name2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline
PubChem CID5378548
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12N4O4/c1-10(11-5-3-2-4-6-11)15-16-13-8-7-12(17(19)20)9-14(13)18(21)22/h2-9,16H,1H3/b15-10-
InChIKeyIMTAQIPVTJOORO-GDNBJRDFSA-N
XLogP3.34
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline?
The IUPAC name of 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline (CID 5378548) is 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline.
What is the SMILES notation for 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline?
The canonical SMILES for 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline is C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline?
The InChIKey is IMTAQIPVTJOORO-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H12N4O4/c1-10(11-5-3-2-4-6-11)15-16-13-8-7-12(17(19)20)9-14(13)18(21)22/h2-9,16H,1H3/b15-10-.
What are the key properties of 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline?
2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline has a molecular weight of 300.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline is sourced from PubChem (CID 5378548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).