[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate

C17H17ClN2O4 — CID 4994307

IUPAC[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
SMILESCOc1cccc(OCC(=O)ON=C(N)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O4/c1-22-14-3-2-4-15(10-14)23-11-17(21)24-20-16(19)9-12-5-7-13(18)8-6-12/h2-8,10H,9,11H2,1H3,(H2,19,20)
InChIKeyKSRIMUXATXYHSO-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.79
Rot. Bonds7

About [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate

[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate (PubChem CID 4994307) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
PubChem CID4994307
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
SMILESCOc1cccc(OCC(=O)ON=C(N)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O4/c1-22-14-3-2-4-15(10-14)23-11-17(21)24-20-16(19)9-12-5-7-13(18)8-6-12/h2-8,10H,9,11H2,1H3,(H2,19,20)
InChIKeyKSRIMUXATXYHSO-UHFFFAOYSA-N
XLogP2.79
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.79
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'}

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Related Compounds

[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348508
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
CID 123284882
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dimethoxybenzoate
CID 6386281
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
[[amino(pyridin-4-yl)methylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 2861855
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4087893
(propan-2-ylideneamino) 2-(3-chlorophenoxy)acetate
CID 88596489
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
CID 91970379

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate?
The IUPAC name of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate (CID 4994307) is [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate.
What is the SMILES notation for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate?
The canonical SMILES for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate is COc1cccc(OCC(=O)ON=C(N)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate?
The InChIKey is KSRIMUXATXYHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-14-3-2-4-15(10-14)23-11-17(21)24-20-16(19)9-12-5-7-13(18)8-6-12/h2-8,10H,9,11H2,1H3,(H2,19,20).
What are the key properties of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate?
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate has a molecular weight of 348.79 g/mol, XLogP of 2.79, 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-(3-methoxyphenoxy)acetate is sourced from PubChem (CID 4994307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).