2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid

C21H23F2NO2 — CID 11588520

IUPAC2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid
SMILESCN(CCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21)CC(=O)O
InChIInChI=1S/C21H23F2NO2/c1-24(14-20(25)26)12-2-10-21(16-3-5-17(22)6-4-16)11-9-15-13-18(23)7-8-19(15)21/h3-8,13H,2,9-12,14H2,1H3,(H,25,26)
InChIKeySLEXIPAFNRVDNY-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.99
Rot. Bonds7

About 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid

2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid (PubChem CID 11588520) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid
PubChem CID11588520
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid
SMILESCN(CCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21)CC(=O)O
InChIInChI=1S/C21H23F2NO2/c1-24(14-20(25)26)12-2-10-21(16-3-5-17(22)6-4-16)11-9-15-13-18(23)7-8-19(15)21/h3-8,13H,2,9-12,14H2,1H3,(H,25,26)
InChIKeySLEXIPAFNRVDNY-UHFFFAOYSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid?
The IUPAC name of 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid (CID 11588520) is 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid is CN(CCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21)CC(=O)O.
What is the InChIKey of 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid?
The InChIKey is SLEXIPAFNRVDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c1-24(14-20(25)26)12-2-10-21(16-3-5-17(22)6-4-16)11-9-15-13-18(23)7-8-19(15)21/h3-8,13H,2,9-12,14H2,1H3,(H,25,26).
What are the key properties of 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid?
2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid has a molecular weight of 359.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propyl-methylamino]acetic acid is sourced from PubChem (CID 11588520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).