N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide

C17H15FN4O5 — CID 135439747

IUPACN-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H15FN4O5/c18-12-1-3-13(4-2-12)20-16(24)7-8-17(25)21-19-10-11-9-14(22(26)27)5-6-15(11)23/h1-6,9-10,23H,7-8H2,(H,20,24)(H,21,25)/b19-10+
InChIKeyOOFFMUXXDWVAEX-VXLYETTFSA-N
MW374.33 g/mol
LogP2.31
Rot. Bonds7

About N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide (PubChem CID 135439747) has the molecular formula C17H15FN4O5 and a molecular weight of 374.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
PubChem CID135439747
Molecular FormulaC17H15FN4O5
Molecular Weight374.33 g/mol
Exact Mass374.10
IUPAC NameN-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H15FN4O5/c18-12-1-3-13(4-2-12)20-16(24)7-8-17(25)21-19-10-11-9-14(22(26)27)5-6-15(11)23/h1-6,9-10,23H,7-8H2,(H,20,24)(H,21,25)/b19-10+
InChIKeyOOFFMUXXDWVAEX-VXLYETTFSA-N
XLogP2.31
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide 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 N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide (CID 135439747) is N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide?
The InChIKey is OOFFMUXXDWVAEX-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15FN4O5/c18-12-1-3-13(4-2-12)20-16(24)7-8-17(25)21-19-10-11-9-14(22(26)27)5-6-15(11)23/h1-6,9-10,23H,7-8H2,(H,20,24)(H,21,25)/b19-10+.
What are the key properties of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide has a molecular weight of 374.33 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide is sourced from PubChem (CID 135439747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).