[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate

C16H14ClNO3 — CID 6149846

IUPAC[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
SMILESC/C(=N\OC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-12(13-5-3-2-4-6-13)18-21-16(19)11-20-15-9-7-14(17)8-10-15/h2-10H,11H2,1H3/b18-12+
InChIKeyXZYHOOKBXYUYNL-LDADJPATSA-N
MW303.75 g/mol
LogP3.69
Rot. Bonds5

About [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate

[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate (PubChem CID 6149846) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
PubChem CID6149846
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
SMILESC/C(=N\OC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-12(13-5-3-2-4-6-13)18-21-16(19)11-20-15-9-7-14(17)8-10-15/h2-10H,11H2,1H3/b18-12+
InChIKeyXZYHOOKBXYUYNL-LDADJPATSA-N
XLogP3.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
CID 5398505
[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
CID 91970379
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 3821505
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
CID 2913363
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
(Z)-4-(4-chlorophenoxy)-2-hydroxy-3-phenylbut-2-enoic acid
CID 118672362
[(E)-1-phenylethylideneamino] acetate
CID 5392489
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
4-(4-chlorophenoxy)-3-phenylbut-2-enoic acid
CID 66759105
(propan-2-ylideneamino) 2-(3-chlorophenoxy)acetate
CID 88596489

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate (CID 6149846) is [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate is C/C(=N\OC(=O)COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate?
The InChIKey is XZYHOOKBXYUYNL-LDADJPATSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-12(13-5-3-2-4-6-13)18-21-16(19)11-20-15-9-7-14(17)8-10-15/h2-10H,11H2,1H3/b18-12+.
What are the key properties of [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate?
[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate has a molecular weight of 303.75 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 6149846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).