2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid

C23H19F2NO5 — CID 57453394

IUPAC2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
SMILESO=C(O)CO/N=C/c1cc(OCc2ccc(F)cc2)cc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H19F2NO5/c24-19-5-1-16(2-6-19)13-29-21-9-18(12-26-31-15-23(27)28)10-22(11-21)30-14-17-3-7-20(25)8-4-17/h1-12H,13-15H2,(H,27,28)/b26-12+
InChIKeyFZCRWQZJMVKLFD-RPPGKUMJSA-N
MW427.40 g/mol
LogP4.56
Rot. Bonds10

About 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid

2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid (PubChem CID 57453394) has the molecular formula C23H19F2NO5 and a molecular weight of 427.40 g/mol. Its IUPAC name is 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
PubChem CID57453394
Molecular FormulaC23H19F2NO5
Molecular Weight427.40 g/mol
Exact Mass427.12
IUPAC Name2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
SMILESO=C(O)CO/N=C/c1cc(OCc2ccc(F)cc2)cc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H19F2NO5/c24-19-5-1-16(2-6-19)13-29-21-9-18(12-26-31-15-23(27)28)10-22(11-21)30-14-17-3-7-20(25)8-4-17/h1-12H,13-15H2,(H,27,28)/b26-12+
InChIKeyFZCRWQZJMVKLFD-RPPGKUMJSA-N
XLogP4.56
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-[3,5-bis[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453424
2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91371607
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 72812195
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
2-[[3-[4-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91326292
2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013461
2-[(E)-[3-[2,4-bis[(4-bromophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 11422226
2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91584716
2-[(E)-[2,3-bis[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453392
2-[(E)-(3-chloro-4-fluorophenyl)methylideneamino]oxyacetic acid
CID 81159898
2-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381474

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid (CID 57453394) is 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid is O=C(O)CO/N=C/c1cc(OCc2ccc(F)cc2)cc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid?
The InChIKey is FZCRWQZJMVKLFD-RPPGKUMJSA-N. The full InChI is InChI=1S/C23H19F2NO5/c24-19-5-1-16(2-6-19)13-29-21-9-18(12-26-31-15-23(27)28)10-22(11-21)30-14-17-3-7-20(25)8-4-17/h1-12H,13-15H2,(H,27,28)/b26-12+.
What are the key properties of 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid?
2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid has a molecular weight of 427.40 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid is sourced from PubChem (CID 57453394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).