2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide

C17H18ClN3O2 — CID 18292830

IUPAC2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CO/N=C(\N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-12-3-9-15(10-4-12)20-16(22)11-23-21-17(19)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyIRKFWNJXZMAJGS-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.18
Rot. Bonds6

About 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide

2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide (PubChem CID 18292830) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
PubChem CID18292830
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CO/N=C(\N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-12-3-9-15(10-4-12)20-16(22)11-23-21-17(19)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyIRKFWNJXZMAJGS-UHFFFAOYSA-N
XLogP3.18
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 60525175
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 51228284
butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
CID 76889487
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
CID 2913363
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775657

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide (CID 18292830) is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CO/N=C(\N)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
The InChIKey is IRKFWNJXZMAJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-12-3-9-15(10-4-12)20-16(22)11-23-21-17(19)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 18292830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).