N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide

C16H13FN4O5 — CID 135821567

IUPACN-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN4O5/c17-11-3-1-2-4-12(11)19-15(23)8-16(24)20-18-9-10-5-6-14(22)13(7-10)21(25)26/h1-7,9,22H,8H2,(H,19,23)(H,20,24)/b18-9+
InChIKeyCHUOCUWCIMSVBY-GIJQJNRQSA-N
MW360.30 g/mol
LogP1.92
Rot. Bonds6

About N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide

N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide (PubChem CID 135821567) has the molecular formula C16H13FN4O5 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
PubChem CID135821567
Molecular FormulaC16H13FN4O5
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC NameN-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN4O5/c17-11-3-1-2-4-12(11)19-15(23)8-16(24)20-18-9-10-5-6-14(22)13(7-10)21(25)26/h1-7,9,22H,8H2,(H,19,23)(H,20,24)/b18-9+
InChIKeyCHUOCUWCIMSVBY-GIJQJNRQSA-N
XLogP1.92
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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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Related Compounds

N-(2-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813990
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
CID 4567494
N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
CID 4675786
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
CID 135607564
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3653365
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135842138
2-hydroxy-N-[2-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135750575
N-(4-ethoxyphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 4684439
N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3985918
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
N'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3896969
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135684451

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide (CID 135821567) is N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1ccccc1F)N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide?
The InChIKey is CHUOCUWCIMSVBY-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13FN4O5/c17-11-3-1-2-4-12(11)19-15(23)8-16(24)20-18-9-10-5-6-14(22)13(7-10)21(25)26/h1-7,9,22H,8H2,(H,19,23)(H,20,24)/b18-9+.
What are the key properties of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide?
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide has a molecular weight of 360.30 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 135821567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).