2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid

C22H18ClNO4 — CID 91371607

IUPAC2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1cccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H18ClNO4/c23-20-8-4-16(5-9-20)14-27-21-10-6-18(7-11-21)19-3-1-2-17(12-19)13-24-28-15-22(25)26/h1-13H,14-15H2,(H,25,26)
InChIKeyDWERJSBQQYXBHZ-UHFFFAOYSA-N
MW395.84 g/mol
LogP5.02
Rot. Bonds8

About 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid

2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid (PubChem CID 91371607) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
PubChem CID91371607
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1cccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H18ClNO4/c23-20-8-4-16(5-9-20)14-27-21-10-6-18(7-11-21)19-3-1-2-17(12-19)13-24-28-15-22(25)26/h1-13H,14-15H2,(H,25,26)
InChIKeyDWERJSBQQYXBHZ-UHFFFAOYSA-N
XLogP5.02
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.84
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[3-[4-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91326292
2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91584716
2-[(E)-[4-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 87480824
2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 72812195
2-[(E)-[3-[2,4-bis[(4-bromophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 11422226
2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453394
2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013461
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
2-[(E)-(3-chloro-4-fluorophenyl)methylideneamino]oxyacetic acid
CID 81159898
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
2-[[3-[3-(3-chlorophenoxy)prop-1-ynyl]phenyl]methylideneamino]oxyacetic acid
CID 76545370

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?
The IUPAC name of 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid (CID 91371607) is 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid is O=C(O)CON=Cc1cccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?
The InChIKey is DWERJSBQQYXBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-20-8-4-16(5-9-20)14-27-21-10-6-18(7-11-21)19-3-1-2-17(12-19)13-24-28-15-22(25)26/h1-13H,14-15H2,(H,25,26).
What are the key properties of 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid?
2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid has a molecular weight of 395.84 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid is sourced from PubChem (CID 91371607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).