2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid

C20H21F2NO2 — CID 18477109

IUPAC2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CCc2ccc(F)cc2C1c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-23(12-19(24)25)11-15-3-2-13-4-9-17(22)10-18(13)20(15)14-5-7-16(21)8-6-14/h4-10,15,20H,2-3,11-12H2,1H3,(H,24,25)
InChIKeyLIDZSTBDEJOGNN-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.68
Rot. Bonds5

About 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid

2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid (PubChem CID 18477109) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid
PubChem CID18477109
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CCc2ccc(F)cc2C1c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-23(12-19(24)25)11-15-3-2-13-4-9-17(22)10-18(13)20(15)14-5-7-16(21)8-6-14/h4-10,15,20H,2-3,11-12H2,1H3,(H,24,25)
InChIKeyLIDZSTBDEJOGNN-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid (CID 18477109) is 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CCc2ccc(F)cc2C1c1ccc(F)cc1.
What is the InChIKey of 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid?
The InChIKey is LIDZSTBDEJOGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-23(12-19(24)25)11-15-3-2-13-4-9-17(22)10-18(13)20(15)14-5-7-16(21)8-6-14/h4-10,15,20H,2-3,11-12H2,1H3,(H,24,25).
What are the key properties of 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid?
2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid has a molecular weight of 345.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-1-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 18477109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).