(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid

C17H16Cl2N2O3 — CID 88957409

IUPAC(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(CC/C(=N\Nc2ccc(Cl)cc2Cl)C(=O)O)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-24-13-6-2-11(3-7-13)4-8-16(17(22)23)21-20-15-9-5-12(18)10-14(15)19/h2-3,5-7,9-10,20H,4,8H2,1H3,(H,22,23)/b21-16+
InChIKeyJXSYENCMVLTBQT-LTGZKZEYSA-N
MW367.23 g/mol
LogP4.49
Rot. Bonds7

About (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid

(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid (PubChem CID 88957409) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid
PubChem CID88957409
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(CC/C(=N\Nc2ccc(Cl)cc2Cl)C(=O)O)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-24-13-6-2-11(3-7-13)4-8-16(17(22)23)21-20-15-9-5-12(18)10-14(15)19/h2-3,5-7,9-10,20H,4,8H2,1H3,(H,22,23)/b21-16+
InChIKeyJXSYENCMVLTBQT-LTGZKZEYSA-N
XLogP4.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.49
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

5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
1-(5-chloro-2-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 103052515
N-(2,4-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 3919740
N-(2,4-dichlorophenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963110
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
1-N-(2,4-dichlorophenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136631
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid?
The IUPAC name of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid (CID 88957409) is (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid is COc1ccc(CC/C(=N\Nc2ccc(Cl)cc2Cl)C(=O)O)cc1.
What is the InChIKey of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid?
The InChIKey is JXSYENCMVLTBQT-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-24-13-6-2-11(3-7-13)4-8-16(17(22)23)21-20-15-9-5-12(18)10-14(15)19/h2-3,5-7,9-10,20H,4,8H2,1H3,(H,22,23)/b21-16+.
What are the key properties of (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid?
(2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid has a molecular weight of 367.23 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-4-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 88957409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).