[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate

C16H15ClN2O3 — CID 5000485

IUPAC[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
SMILESCc1ccc(C(N)=NOC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-11-2-4-12(5-3-11)16(18)19-22-15(20)10-21-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyJZEMHBJLBNCBKO-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.89
Rot. Bonds5

About [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate

[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate (PubChem CID 5000485) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
PubChem CID5000485
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
SMILESCc1ccc(C(N)=NOC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-11-2-4-12(5-3-11)16(18)19-22-15(20)10-21-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyJZEMHBJLBNCBKO-UHFFFAOYSA-N
XLogP2.89
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.89
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-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
CID 2913363
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
[[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-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6243258
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 3821505
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-propan-2-ylphenoxy)acetate
CID 2193249
[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 28958492
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 2462291

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate (CID 5000485) is [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate is Cc1ccc(C(N)=NOC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate?
The InChIKey is JZEMHBJLBNCBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11-2-4-12(5-3-11)16(18)19-22-15(20)10-21-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate?
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate has a molecular weight of 318.76 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 5000485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).