2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H13FN4O5 — CID 135717300

IUPAC2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN4O5/c17-12-4-2-1-3-11(12)16(24)18-9-15(23)20-19-8-10-5-6-14(22)13(7-10)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)/b19-8+
InChIKeyAEWVMNBLGGXGNC-UFWORHAWSA-N
MW360.30 g/mol
LogP1.32
Rot. Bonds6

About 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 135717300) has the molecular formula C16H13FN4O5 and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID135717300
Molecular FormulaC16H13FN4O5
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN4O5/c17-12-4-2-1-3-11(12)16(24)18-9-15(23)20-19-8-10-5-6-14(22)13(7-10)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)/b19-8+
InChIKeyAEWVMNBLGGXGNC-UFWORHAWSA-N
XLogP1.32
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 ≤ 51.32
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'}

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Related Compounds

4-Fluoro-N-({N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 135521495
N-[(E)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 9599309
N-[1-{[2-(4-hydroxybenzylidene)hydrazino]carbonyl}-2-(4-nitrophenyl)vinyl]benzamide
CID 135446673
3-fluoro-N-{2-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135479424
N-({N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135517039
3-Fluoro-N-({N'-[(E)-(3-hydroxy-4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 9599333
US9120744, Cde-060
CID 59350275
4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 5145556
3-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 5177767
3-fluoro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
CID 5338706
3-Fluoro-N-({N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 135479606
3-fluoro-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]benzohydrazide
CID 135504484

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 135717300) is 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1F)N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is AEWVMNBLGGXGNC-UFWORHAWSA-N. The full InChI is InChI=1S/C16H13FN4O5/c17-12-4-2-1-3-11(12)16(24)18-9-15(23)20-19-8-10-5-6-14(22)13(7-10)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)/b19-8+.
What are the key properties of 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 360.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 135717300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).