3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide

C16H11F4N3O4 — CID 168907872

IUPAC3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide
SMILESO=C(NO)c1ccc(/C=N/NC(=O)c2ccccc2OC(F)(F)F)c(F)c1
InChIInChI=1S/C16H11F4N3O4/c17-12-7-9(14(24)23-26)5-6-10(12)8-21-22-15(25)11-3-1-2-4-13(11)27-16(18,19)20/h1-8,26H,(H,22,25)(H,23,24)/b21-8+
InChIKeyGJWILFXLMKPNPT-ODCIPOBUSA-N
MW385.27 g/mol
LogP2.61
Rot. Bonds5

About 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide

3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide (PubChem CID 168907872) has the molecular formula C16H11F4N3O4 and a molecular weight of 385.27 g/mol. Its IUPAC name is 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide
PubChem CID168907872
Molecular FormulaC16H11F4N3O4
Molecular Weight385.27 g/mol
Exact Mass385.07
IUPAC Name3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide
SMILESO=C(NO)c1ccc(/C=N/NC(=O)c2ccccc2OC(F)(F)F)c(F)c1
InChIInChI=1S/C16H11F4N3O4/c17-12-7-9(14(24)23-26)5-6-10(12)8-21-22-15(25)11-3-1-2-4-13(11)27-16(18,19)20/h1-8,26H,(H,22,25)(H,23,24)/b21-8+
InChIKeyGJWILFXLMKPNPT-ODCIPOBUSA-N
XLogP2.61
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-2-(trifluoromethoxy)benzamide
CID 135804189
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
methyl 3-fluoro-4-[(E)-[(2-fluoro-3-methylbenzoyl)hydrazinylidene]methyl]benzoate
CID 168908057
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
CID 135959938
N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6736199
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
methyl 4-[(E)-[(4-chloro-2-fluorobenzoyl)hydrazinylidene]methyl]-3-fluorobenzoate
CID 168908036
4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
CID 168907937
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide?
The IUPAC name of 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide (CID 168907872) is 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide is O=C(NO)c1ccc(/C=N/NC(=O)c2ccccc2OC(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide?
The InChIKey is GJWILFXLMKPNPT-ODCIPOBUSA-N. The full InChI is InChI=1S/C16H11F4N3O4/c17-12-7-9(14(24)23-26)5-6-10(12)8-21-22-15(25)11-3-1-2-4-13(11)27-16(18,19)20/h1-8,26H,(H,22,25)(H,23,24)/b21-8+.
What are the key properties of 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide?
3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide has a molecular weight of 385.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide is sourced from PubChem (CID 168907872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).