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

C14H10FN3O4 — CID 3855649

IUPAC3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O4/c15-11-3-1-2-10(7-11)14(20)17-16-8-9-4-5-13(19)12(6-9)18(21)22/h1-8,19H,(H,17,20)
InChIKeyHXXVWZQEMKHRPL-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.20
Rot. Bonds4

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

3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 3855649) has the molecular formula C14H10FN3O4 and a molecular weight of 303.25 g/mol. Its IUPAC name is 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID3855649
Molecular FormulaC14H10FN3O4
Molecular Weight303.25 g/mol
Exact Mass303.07
IUPAC Name3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O4/c15-11-3-1-2-10(7-11)14(20)17-16-8-9-4-5-13(19)12(6-9)18(21)22/h1-8,19H,(H,17,20)
InChIKeyHXXVWZQEMKHRPL-UHFFFAOYSA-N
XLogP2.20
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 3855649) is 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is HXXVWZQEMKHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O4/c15-11-3-1-2-10(7-11)14(20)17-16-8-9-4-5-13(19)12(6-9)18(21)22/h1-8,19H,(H,17,20).
What are the key properties of 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 303.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3855649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).