2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid

C21H16F3NO3 — CID 71515516

IUPAC2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(F)c(NCc2cccc(-c3cccc(F)c3)c2)c1F
InChIInChI=1S/C21H16F3NO3/c22-16-6-2-5-15(10-16)14-4-1-3-13(9-14)11-25-21-17(23)7-8-18(20(21)24)28-12-19(26)27/h1-10,25H,11-12H2,(H,26,27)
InChIKeyZKDPGJBIUWVIAF-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.85
Rot. Bonds7

About 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid

2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid (PubChem CID 71515516) has the molecular formula C21H16F3NO3 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
PubChem CID71515516
Molecular FormulaC21H16F3NO3
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Name2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(F)c(NCc2cccc(-c3cccc(F)c3)c2)c1F
InChIInChI=1S/C21H16F3NO3/c22-16-6-2-5-15(10-16)14-4-1-3-13(9-14)11-25-21-17(23)7-8-18(20(21)24)28-12-19(26)27/h1-10,25H,11-12H2,(H,26,27)
InChIKeyZKDPGJBIUWVIAF-UHFFFAOYSA-N
XLogP4.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid (CID 71515516) is 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid is O=C(O)COc1ccc(F)c(NCc2cccc(-c3cccc(F)c3)c2)c1F.
What is the InChIKey of 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
The InChIKey is ZKDPGJBIUWVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO3/c22-16-6-2-5-15(10-16)14-4-1-3-13(9-14)11-25-21-17(23)7-8-18(20(21)24)28-12-19(26)27/h1-10,25H,11-12H2,(H,26,27).
What are the key properties of 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid?
2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid has a molecular weight of 387.36 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-[[3-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetic acid is sourced from PubChem (CID 71515516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).