2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide

C15H13FN4O4 — CID 137168687

IUPAC2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN4O4/c16-11-2-4-12(5-3-11)17-9-15(22)19-18-8-10-1-6-14(21)13(7-10)20(23)24/h1-8,17,21H,9H2,(H,19,22)/b18-8-
InChIKeyUEGXNYHBAMOIAF-LSCVHKIXSA-N
MW332.29 g/mol
LogP2.00
Rot. Bonds6

About 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide (PubChem CID 137168687) has the molecular formula C15H13FN4O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
PubChem CID137168687
Molecular FormulaC15H13FN4O4
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN4O4/c16-11-2-4-12(5-3-11)17-9-15(22)19-18-8-10-1-6-14(21)13(7-10)20(23)24/h1-8,17,21H,9H2,(H,19,22)/b18-8-
InChIKeyUEGXNYHBAMOIAF-LSCVHKIXSA-N
XLogP2.00
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide (CID 137168687) is 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide is O=C(CNc1ccc(F)cc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is UEGXNYHBAMOIAF-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H13FN4O4/c16-11-2-4-12(5-3-11)17-9-15(22)19-18-8-10-1-6-14(21)13(7-10)20(23)24/h1-8,17,21H,9H2,(H,19,22)/b18-8-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 332.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 137168687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).