N-[(E)-(2-nitrophenyl)methylideneamino]benzamide

C14H11N3O3 — CID 5332530

IUPACN-[(E)-(2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11N3O3/c18-14(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-13(12)17(19)20/h1-10H,(H,16,18)/b15-10+
InChIKeyYBEVPNAXTCGIAC-XNTDXEJSSA-N
MW269.26 g/mol
LogP2.36
Rot. Bonds4

About N-[(E)-(2-nitrophenyl)methylideneamino]benzamide

N-[(E)-(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 5332530) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(E)-(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-nitrophenyl)methylideneamino]benzamide
PubChem CID5332530
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-[(E)-(2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11N3O3/c18-14(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-13(12)17(19)20/h1-10H,(H,16,18)/b15-10+
InChIKeyYBEVPNAXTCGIAC-XNTDXEJSSA-N
XLogP2.36
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]benzamide (CID 5332530) is N-[(E)-(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is YBEVPNAXTCGIAC-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-13(12)17(19)20/h1-10H,(H,16,18)/b15-10+.
What are the key properties of N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
N-[(E)-(2-nitrophenyl)methylideneamino]benzamide has a molecular weight of 269.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5332530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).