2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid

C21H17ClFNO3 — CID 149454889

IUPAC2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(NCc2cccc(-c3ccccc3Cl)c2)cc1F
InChIInChI=1S/C21H17ClFNO3/c22-18-7-2-1-6-17(18)15-5-3-4-14(10-15)12-24-16-8-9-20(19(23)11-16)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26)
InChIKeyYYIWPZMHFXASAM-UHFFFAOYSA-N
MW385.82 g/mol
LogP5.22
Rot. Bonds7

About 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid

2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid (PubChem CID 149454889) has the molecular formula C21H17ClFNO3 and a molecular weight of 385.82 g/mol. Its IUPAC name is 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
PubChem CID149454889
Molecular FormulaC21H17ClFNO3
Molecular Weight385.82 g/mol
Exact Mass385.09
IUPAC Name2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(NCc2cccc(-c3ccccc3Cl)c2)cc1F
InChIInChI=1S/C21H17ClFNO3/c22-18-7-2-1-6-17(18)15-5-3-4-14(10-15)12-24-16-8-9-20(19(23)11-16)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26)
InChIKeyYYIWPZMHFXASAM-UHFFFAOYSA-N
XLogP5.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.82
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid (CID 149454889) is 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid is O=C(O)COc1ccc(NCc2cccc(-c3ccccc3Cl)c2)cc1F.
What is the InChIKey of 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid?
The InChIKey is YYIWPZMHFXASAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO3/c22-18-7-2-1-6-17(18)15-5-3-4-14(10-15)12-24-16-8-9-20(19(23)11-16)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26).
What are the key properties of 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid?
2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid has a molecular weight of 385.82 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-chlorophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 149454889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).