2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C21H18FNO3 — CID 169210405

IUPAC2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3cccc4cccc(F)c34)cc2C1
InChIInChI=1S/C21H18FNO3/c22-17-5-1-3-14-4-2-6-18(19(14)17)26-16-8-7-13-9-10-21(23,20(24)25)12-15(13)11-16/h1-8,11H,9-10,12,23H2,(H,24,25)
InChIKeyAKNULITWYQDWHJ-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.04
Rot. Bonds3

About 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 169210405) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID169210405
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3cccc4cccc(F)c34)cc2C1
InChIInChI=1S/C21H18FNO3/c22-17-5-1-3-14-4-2-6-18(19(14)17)26-16-8-7-13-9-10-21(23,20(24)25)12-15(13)11-16/h1-8,11H,9-10,12,23H2,(H,24,25)
InChIKeyAKNULITWYQDWHJ-UHFFFAOYSA-N
XLogP4.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210271
2-amino-7-(6-fluoronaphthalen-2-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210418
2-amino-7-naphthalen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210308
2-amino-7-[2-(2,3,4,5,6-pentafluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210392
2-amino-7-[2-(3,4-difluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107703
2-amino-7-[2-(3-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107704
2-amino-7-anthracen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107867
2-amino-7-[2-(3-chloro-4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107896
2-amino-7-(2-pyridin-2-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210210
2-amino-7-[2-(3-ethylphenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210342
2-amino-7-[3-[3-(trifluoromethyl)phenyl]phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107813
[1-carboxy-7-(8-fluoronaphthalen-1-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
CID 176652504

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 169210405) is 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is NC1(C(=O)O)CCc2ccc(Oc3cccc4cccc(F)c34)cc2C1.
What is the InChIKey of 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is AKNULITWYQDWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-17-5-1-3-14-4-2-6-18(19(14)17)26-16-8-7-13-9-10-21(23,20(24)25)12-15(13)11-16/h1-8,11H,9-10,12,23H2,(H,24,25).
What are the key properties of 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(8-fluoronaphthalen-1-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 169210405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).