4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

C14H10FN3O3 — CID 6898827

IUPAC4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O3/c15-12-6-4-11(5-7-12)14(19)17-16-9-10-2-1-3-13(8-10)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKeyUKJLQHFHXYZPJM-CXUHLZMHSA-N
MW287.25 g/mol
LogP2.50
Rot. Bonds4

About 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 6898827) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID6898827
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O3/c15-12-6-4-11(5-7-12)14(19)17-16-9-10-2-1-3-13(8-10)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKeyUKJLQHFHXYZPJM-CXUHLZMHSA-N
XLogP2.50
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.50
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 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (CID 6898827) is 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is UKJLQHFHXYZPJM-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-12-6-4-11(5-7-12)14(19)17-16-9-10-2-1-3-13(8-10)18(20)21/h1-9H,(H,17,19)/b16-9+.
What are the key properties of 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 287.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6898827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).