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

C18H17ClN2O4 — CID 19171619

IUPAC(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-14-8-4-5-9-16(14)25-12-17(22)21-20-15(10-11-18(23)24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)(H,23,24)/b20-15-
InChIKeyJVNCQYSFVZSXMK-HKWRFOASSA-N
MW360.80 g/mol
LogP3.10
Rot. Bonds8

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

(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid (PubChem CID 19171619) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
PubChem CID19171619
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-14-8-4-5-9-16(14)25-12-17(22)21-20-15(10-11-18(23)24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)(H,23,24)/b20-15-
InChIKeyJVNCQYSFVZSXMK-HKWRFOASSA-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

(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
CID 4923025
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
The IUPAC name of (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid (CID 19171619) is (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid.
What is the SMILES notation for (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
The canonical SMILES for (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid is O=C(O)CC/C(=N/NC(=O)COc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
The InChIKey is JVNCQYSFVZSXMK-HKWRFOASSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-14-8-4-5-9-16(14)25-12-17(22)21-20-15(10-11-18(23)24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)(H,23,24)/b20-15-.
What are the key properties of (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid?
(4Z)-4-[[2-(2-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 (4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid is sourced from PubChem (CID 19171619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).