N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide

C22H19FN4O3 — CID 6091071

IUPACN-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3/c23-17-8-10-19(11-9-17)25-21(28)15-30-20-12-6-16(7-13-20)14-24-27-22(29)26-18-4-2-1-3-5-18/h1-14H,15H2,(H,25,28)(H2,26,27,29)/b24-14-
InChIKeyATLBXVXTFJTBPU-OYKKKHCWSA-N
MW406.42 g/mol
LogP4.00
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide

N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 6091071) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
PubChem CID6091071
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3/c23-17-8-10-19(11-9-17)25-21(28)15-30-20-12-6-16(7-13-20)14-24-27-22(29)26-18-4-2-1-3-5-18/h1-14H,15H2,(H,25,28)(H2,26,27,29)/b24-14-
InChIKeyATLBXVXTFJTBPU-OYKKKHCWSA-N
XLogP4.00
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126236043
N-benzyl-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832352
N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833202
N'-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 94832214
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
CID 94833201
N-(4-bromophenyl)-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832756
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833111
N-(4-fluorophenyl)-N'-[(Z)-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260706

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide (CID 6091071) is N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide is O=C(COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is ATLBXVXTFJTBPU-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19FN4O3/c23-17-8-10-19(11-9-17)25-21(28)15-30-20-12-6-16(7-13-20)14-24-27-22(29)26-18-4-2-1-3-5-18/h1-14H,15H2,(H,25,28)(H2,26,27,29)/b24-14-.
What are the key properties of N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 406.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 6091071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).