4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide

C18H19FN4O3 — CID 168907975

IUPAC4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
SMILESCN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1N(C)C
InChIInChI=1S/C18H19FN4O3/c1-22(2)16-7-5-4-6-14(16)18(25)23(3)20-11-13-9-8-12(10-15(13)19)17(24)21-26/h4-11,26H,1-3H3,(H,21,24)/b20-11+
InChIKeyYLWPHWXWQDGZIC-RGVLZGJSSA-N
MW358.37 g/mol
LogP2.12
Rot. Bonds5

About 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide

4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide (PubChem CID 168907975) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
PubChem CID168907975
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
SMILESCN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1N(C)C
InChIInChI=1S/C18H19FN4O3/c1-22(2)16-7-5-4-6-14(16)18(25)23(3)20-11-13-9-8-12(10-15(13)19)17(24)21-26/h4-11,26H,1-3H3,(H,21,24)/b20-11+
InChIKeyYLWPHWXWQDGZIC-RGVLZGJSSA-N
XLogP2.12
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
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)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide
CID 168908064
4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide
CID 168907848
4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
CID 168907937
methyl 4-[(E)-[(2,4-difluorobenzoyl)-methylhydrazinylidene]methyl]-3-fluorobenzoate
CID 168907917
methyl 3-fluoro-4-[(E)-[(2-fluoro-5-methoxybenzoyl)-methylhydrazinylidene]methyl]benzoate
CID 168907894
3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide
CID 168907872
methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate
CID 168908043
methyl 2-fluoro-4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate
CID 168908012
[2-(dimethylamino)phenyl]-(2-fluorophenyl)methanone
CID 71536300
4-(dimethylamino)-3-fluoro-N-(2-phenylphenyl)benzamide
CID 60585811
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
CID 122601010
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide (CID 168907975) is 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide is CN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1N(C)C.
What is the InChIKey of 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
The InChIKey is YLWPHWXWQDGZIC-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-22(2)16-7-5-4-6-14(16)18(25)23(3)20-11-13-9-8-12(10-15(13)19)17(24)21-26/h4-11,26H,1-3H3,(H,21,24)/b20-11+.
What are the key properties of 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide has a molecular weight of 358.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 168907975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).