2-[benzyl(furan-2-carbonyl)amino]benzoic acid

C19H15NO4 — CID 2310241

IUPAC2-[benzyl(furan-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1N(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C19H15NO4/c21-18(17-11-6-12-24-17)20(13-14-7-2-1-3-8-14)16-10-5-4-9-15(16)19(22)23/h1-12H,13H2,(H,22,23)
InChIKeyXINUKQKUNDZFFK-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.82
Rot. Bonds5

About 2-[benzyl(furan-2-carbonyl)amino]benzoic acid

2-[benzyl(furan-2-carbonyl)amino]benzoic acid (PubChem CID 2310241) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[benzyl(furan-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[benzyl(furan-2-carbonyl)amino]benzoic acid
PubChem CID2310241
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[benzyl(furan-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1N(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C19H15NO4/c21-18(17-11-6-12-24-17)20(13-14-7-2-1-3-8-14)16-10-5-4-9-15(16)19(22)23/h1-12H,13H2,(H,22,23)
InChIKeyXINUKQKUNDZFFK-UHFFFAOYSA-N
XLogP3.82
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[benzyl(furan-2-carbonyl)amino]benzoic acid (CID 2310241) is 2-[benzyl(furan-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[benzyl(furan-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[benzyl(furan-2-carbonyl)amino]benzoic acid is O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of 2-[benzyl(furan-2-carbonyl)amino]benzoic acid?
The InChIKey is XINUKQKUNDZFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-18(17-11-6-12-24-17)20(13-14-7-2-1-3-8-14)16-10-5-4-9-15(16)19(22)23/h1-12H,13H2,(H,22,23).
What are the key properties of 2-[benzyl(furan-2-carbonyl)amino]benzoic acid?
2-[benzyl(furan-2-carbonyl)amino]benzoic acid has a molecular weight of 321.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 2310241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).