2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid

C24H23FN2O4 — CID 85115675

IUPAC2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
SMILESCCC(=NOCCOc1cccc(CC(=O)O)c1F)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-20(17-9-11-18(12-10-17)21-7-3-4-13-26-21)27-31-15-14-30-22-8-5-6-19(24(22)25)16-23(28)29/h3-13H,2,14-16H2,1H3,(H,28,29)
InChIKeyJLYSPBLKAWWINE-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.72
Rot. Bonds10

About 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid

2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid (PubChem CID 85115675) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
PubChem CID85115675
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
SMILESCCC(=NOCCOc1cccc(CC(=O)O)c1F)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-20(17-9-11-18(12-10-17)21-7-3-4-13-26-21)27-31-15-14-30-22-8-5-6-19(24(22)25)16-23(28)29/h3-13H,2,14-16H2,1H3,(H,28,29)
InChIKeyJLYSPBLKAWWINE-UHFFFAOYSA-N
XLogP4.72
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 141100568
2-[2-fluoro-3-[2-[1-[4-(trifluoromethyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169530
2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169320
2-[2-fluoro-5-[2-[1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169552
N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine
CID 173205673
2-[4-chloro-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834226
2-[4-methoxy-3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834532
2-[3-[2-[(E)-1-(4-pyridin-4-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834088
2-[3-[2-[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87833804
2-[3-[2-[(E)-1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834265
2-[3-[2-[1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169351
2-[2-fluoro-3-[2-[(6-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxyethoxy]phenyl]acetic acid
CID 173169048

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid (CID 85115675) is 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid is CCC(=NOCCOc1cccc(CC(=O)O)c1F)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
The InChIKey is JLYSPBLKAWWINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-2-20(17-9-11-18(12-10-17)21-7-3-4-13-26-21)27-31-15-14-30-22-8-5-6-19(24(22)25)16-23(28)29/h3-13H,2,14-16H2,1H3,(H,28,29).
What are the key properties of 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid has a molecular weight of 422.46 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid is sourced from PubChem (CID 85115675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).