[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate

C16H15ClN2O3 — CID 6243258

IUPAC[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)O/N=C(/N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-11-6-8-12(9-7-11)21-10-15(20)22-19-16(18)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyKFQVPKKABIUZTO-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.89
Rot. Bonds5

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

[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate (PubChem CID 6243258) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
PubChem CID6243258
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)O/N=C(/N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-11-6-8-12(9-7-11)21-10-15(20)22-19-16(18)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyKFQVPKKABIUZTO-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'}

Analyze [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 2462291
[[amino-(2-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 2876644
[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
CID 5398505
[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6034101
[[amino(phenyl)methylidene]amino] 2-(3,4-dimethylphenoxy)acetate
CID 2957050
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
CID 6149846
[[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

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate?
The IUPAC name of [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate (CID 6243258) is [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate.
What is the SMILES notation for [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate?
The canonical SMILES for [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate is Cc1ccc(OCC(=O)O/N=C(/N)c2ccccc2Cl)cc1.
What is the InChIKey of [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate?
The InChIKey is KFQVPKKABIUZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11-6-8-12(9-7-11)21-10-15(20)22-19-16(18)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate?
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)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 [(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 6243258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).