2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C23H20FNO3 — CID 169210255

IUPAC2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3ccccc3-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C23H20FNO3/c24-18-8-5-16(6-9-18)20-3-1-2-4-21(20)28-19-10-7-15-11-12-23(25,22(26)27)14-17(15)13-19/h1-10,13H,11-12,14,25H2,(H,26,27)
InChIKeySUQAJWXNUWXABF-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.56
Rot. Bonds4

About 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 169210255) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID169210255
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3ccccc3-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C23H20FNO3/c24-18-8-5-16(6-9-18)20-3-1-2-4-21(20)28-19-10-7-15-11-12-23(25,22(26)27)14-17(15)13-19/h1-10,13H,11-12,14,25H2,(H,26,27)
InChIKeySUQAJWXNUWXABF-UHFFFAOYSA-N
XLogP4.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 169210255) is 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is NC1(C(=O)O)CCc2ccc(Oc3ccccc3-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is SUQAJWXNUWXABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-18-8-5-16(6-9-18)20-3-1-2-4-21(20)28-19-10-7-15-11-12-23(25,22(26)27)14-17(15)13-19/h1-10,13H,11-12,14,25H2,(H,26,27).
What are the key properties of 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 377.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 169210255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).