[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate

C18H19ClN2O4 — CID 123284882

IUPAC[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)ON=C(N)Cc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-23-15-8-5-13(16(11-15)24-2)10-18(22)25-21-17(20)9-12-3-6-14(19)7-4-12/h3-8,11H,9-10H2,1-2H3,(H2,20,21)
InChIKeyFVQWWXCYYOCHMT-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.96
Rot. Bonds7

About [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate

[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 123284882) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID123284882
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)ON=C(N)Cc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-23-15-8-5-13(16(11-15)24-2)10-18(22)25-21-17(20)9-12-3-6-14(19)7-4-12/h3-8,11H,9-10H2,1-2H3,(H2,20,21)
InChIKeyFVQWWXCYYOCHMT-UHFFFAOYSA-N
XLogP2.96
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)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

[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 4994307
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dimethoxybenzoate
CID 6386281
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate
CID 2922489
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-nitrophenyl)acetate
CID 2876830
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348508
(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate
CID 57226067
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate (CID 123284882) is [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)ON=C(N)Cc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is FVQWWXCYYOCHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-23-15-8-5-13(16(11-15)24-2)10-18(22)25-21-17(20)9-12-3-6-14(19)7-4-12/h3-8,11H,9-10H2,1-2H3,(H2,20,21).
What are the key properties of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate?
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 362.81 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 123284882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).