(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid

C18H17ClN2O4 — CID 5341278

IUPAC(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-14-6-8-15(9-7-14)25-12-17(22)21-20-16(10-11-18(23)24)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,22)(H,23,24)/b20-16+
InChIKeyVQWMBGMOCHYRDW-CAPFRKAQSA-N
MW360.80 g/mol
LogP3.10
Rot. Bonds8

About (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid

(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid (PubChem CID 5341278) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
PubChem CID5341278
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-14-6-8-15(9-7-14)25-12-17(22)21-20-16(10-11-18(23)24)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,22)(H,23,24)/b20-16+
InChIKeyVQWMBGMOCHYRDW-CAPFRKAQSA-N
XLogP3.10
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
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

4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588
(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 19171619
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3256701
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
4-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 3763980
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
The IUPAC name of (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid (CID 5341278) is (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid.
What is the SMILES notation for (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
The canonical SMILES for (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid is O=C(O)CC/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
The InChIKey is VQWMBGMOCHYRDW-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-14-6-8-15(9-7-14)25-12-17(22)21-20-16(10-11-18(23)24)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,22)(H,23,24)/b20-16+.
What are the key properties of (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid has a molecular weight of 360.80 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid is sourced from PubChem (CID 5341278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).