[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate

C15H12Cl2N2O3 — CID 170771225

IUPAC[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
SMILESNC(=NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-6-7-13(12(17)8-11)21-9-14(20)22-19-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,19)
InChIKeyXRVBSWKAAKPIHX-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.24
Rot. Bonds5

About [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate

[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 170771225) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
PubChem CID170771225
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
SMILESNC(=NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-6-7-13(12(17)8-11)21-9-14(20)22-19-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,19)
InChIKeyXRVBSWKAAKPIHX-UHFFFAOYSA-N
XLogP3.24
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.24
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

[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 28958492
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate
CID 2903300
[[amino(pyridin-4-yl)methylidene]amino] 2-(4-chloro-2-methylphenoxy)acetate
CID 2869532
[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
CID 2903284
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 134101638
[[amino-(3-nitrophenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate
CID 2869264
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
[[amino-(4-nitrophenyl)methylidene]amino] 4-(2,4-dichlorophenoxy)butanoate
CID 2961086
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 4-(2,4-dichlorophenoxy)butanoate
CID 135748892
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360

Frequently Asked Questions

What is the IUPAC name of [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate (CID 170771225) is [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate is NC(=NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is XRVBSWKAAKPIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-6-7-13(12(17)8-11)21-9-14(20)22-19-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,19).
What are the key properties of [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 339.18 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 170771225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).