[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate

C17H17ClN2O3 — CID 2913363

IUPAC[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)ON=C(N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-12-3-9-15(10-4-12)22-11-16(21)23-20-17(19)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H2,19,20)
InChIKeyOKVBRAUMOHRUKM-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.14
Rot. Bonds6

About [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate

[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate (PubChem CID 2913363) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
PubChem CID2913363
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)ON=C(N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-12-3-9-15(10-4-12)22-11-16(21)23-20-17(19)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H2,19,20)
InChIKeyOKVBRAUMOHRUKM-UHFFFAOYSA-N
XLogP3.14
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate
CID 2204314
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 28958492
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
[[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2,2-dichloroacetate
CID 2726450
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 3821505
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-propan-2-ylphenoxy)acetate
CID 2193249
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 18292830
[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
CID 6149846
(4-ethylphenyl) 4-chlorobenzoate
CID 695931

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate (CID 2913363) is [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)ON=C(N)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate?
The InChIKey is OKVBRAUMOHRUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-2-12-3-9-15(10-4-12)22-11-16(21)23-20-17(19)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H2,19,20).
What are the key properties of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate?
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate has a molecular weight of 332.79 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 2913363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).