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

C19H14BrNO4 — CID 1342578

IUPAC5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C19H14BrNO4/c20-14-6-8-17(16(10-14)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeySWIBSGFKJNQXRY-UHFFFAOYSA-N
MW400.23 g/mol
LogP4.32
Rot. Bonds5

About 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid

5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid (PubChem CID 1342578) has the molecular formula C19H14BrNO4 and a molecular weight of 400.23 g/mol. Its IUPAC name is 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
PubChem CID1342578
Molecular FormulaC19H14BrNO4
Molecular Weight400.23 g/mol
Exact Mass399.01
IUPAC Name5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C19H14BrNO4/c20-14-6-8-17(16(10-14)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeySWIBSGFKJNQXRY-UHFFFAOYSA-N
XLogP4.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid (CID 1342578) is 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid is O=C(COc1ccc2ccccc2c1)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The InChIKey is SWIBSGFKJNQXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO4/c20-14-6-8-17(16(10-14)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24).
What are the key properties of 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid has a molecular weight of 400.23 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid is sourced from PubChem (CID 1342578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).