4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid

C14H9Cl2NO3 — CID 11174345

IUPAC4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
SMILESO=C(O)c1ccc(O/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H9Cl2NO3/c15-12-2-1-3-13(16)11(12)8-17-20-10-6-4-9(5-7-10)14(18)19/h1-8H,(H,18,19)/b17-8+
InChIKeyRRBBQEQCXJDROT-CAOOACKPSA-N
MW310.14 g/mol
LogP4.10
Rot. Bonds4

About 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid

4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid (PubChem CID 11174345) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid.

Molecular Properties

Compound Name4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
PubChem CID11174345
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
SMILESO=C(O)c1ccc(O/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H9Cl2NO3/c15-12-2-1-3-13(16)11(12)8-17-20-10-6-4-9(5-7-10)14(18)19/h1-8H,(H,18,19)/b17-8+
InChIKeyRRBBQEQCXJDROT-CAOOACKPSA-N
XLogP4.10
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11162667
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
4-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]oxybenzoic acid
CID 91228121
3-[(E)-benzylideneamino]oxybenzoic acid
CID 11333939
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
4-(2,6-dichloroanilino)benzoic acid
CID 65499202
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
CID 11450448
2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid
CID 54547211
2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid
CID 13269393
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid?
The IUPAC name of 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid (CID 11174345) is 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid.
What is the SMILES notation for 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid?
The canonical SMILES for 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid is O=C(O)c1ccc(O/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid?
The InChIKey is RRBBQEQCXJDROT-CAOOACKPSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-12-2-1-3-13(16)11(12)8-17-20-10-6-4-9(5-7-10)14(18)19/h1-8H,(H,18,19)/b17-8+.
What are the key properties of 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid?
4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid has a molecular weight of 310.14 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid is sourced from PubChem (CID 11174345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).