2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid

C19H15NO4 — CID 950383

IUPAC2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H15NO4/c21-18(20-17-8-4-3-7-16(17)19(22)23)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeySVJIFKVIILWEGE-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.56
Rot. Bonds5

About 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid

2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid (PubChem CID 950383) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
PubChem CID950383
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H15NO4/c21-18(20-17-8-4-3-7-16(17)19(22)23)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeySVJIFKVIILWEGE-UHFFFAOYSA-N
XLogP3.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The IUPAC name of 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid (CID 950383) is 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid is O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The InChIKey is SVJIFKVIILWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-18(20-17-8-4-3-7-16(17)19(22)23)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)(H,22,23).
What are the key properties of 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid has a molecular weight of 321.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid is sourced from PubChem (CID 950383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).