[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate

C16H15ClN2O3 — CID 6279155

IUPAC[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(/N)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-21-14-8-4-12(5-9-14)16(20)22-19-15(18)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyQVAOYGKHWDLBJZ-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.02
Rot. Bonds5

About [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate

[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate (PubChem CID 6279155) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate.

Molecular Properties

Compound Name[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
PubChem CID6279155
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(/N)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-21-14-8-4-12(5-9-14)16(20)22-19-15(18)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyQVAOYGKHWDLBJZ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate with MolForge

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Related Compounds

[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dimethoxybenzoate
CID 6386281
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
CID 123284882
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 4994307
[[1-amino-2-(3,4-dimethoxyphenyl)ethylidene]amino] 4-methylbenzoate
CID 4211421
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
CID 2276392
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
[(Z)-[2-(4-acetamidophenyl)-1-aminoethylidene]amino] 4-methylbenzoate
CID 133221301
[(E)-[2-(4-acetamidophenyl)-1-aminoethylidene]amino] 4-fluorobenzoate
CID 100802202

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate?
The IUPAC name of [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate (CID 6279155) is [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate.
What is the SMILES notation for [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate?
The canonical SMILES for [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate is COc1ccc(C(=O)O/N=C(/N)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate?
The InChIKey is QVAOYGKHWDLBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-21-14-8-4-12(5-9-14)16(20)22-19-15(18)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate?
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate has a molecular weight of 318.76 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate is sourced from PubChem (CID 6279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).