2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid

C22H20FNO3 — CID 147146439

IUPAC2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESCc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1
InChIInChI=1S/C22H20FNO3/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-24-18-9-10-21(20(23)12-18)27-14-22(25)26/h2-12,24H,13-14H2,1H3,(H,25,26)
InChIKeyBTDJUKVOKKMSFU-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.88
Rot. Bonds7

About 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid

2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid (PubChem CID 147146439) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid
PubChem CID147146439
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid
SMILESCc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1
InChIInChI=1S/C22H20FNO3/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-24-18-9-10-21(20(23)12-18)27-14-22(25)26/h2-12,24H,13-14H2,1H3,(H,25,26)
InChIKeyBTDJUKVOKKMSFU-UHFFFAOYSA-N
XLogP4.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.88
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-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid (CID 147146439) is 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid is Cc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid?
The InChIKey is BTDJUKVOKKMSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-24-18-9-10-21(20(23)12-18)27-14-22(25)26/h2-12,24H,13-14H2,1H3,(H,25,26).
What are the key properties of 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid?
2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid has a molecular weight of 365.40 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid is sourced from PubChem (CID 147146439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).