2-(furan-2-carbonylamino)benzoic acid

C12H9NO4 — CID 722854

IUPAC2-(furan-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccco1
InChIInChI=1S/C12H9NO4/c14-11(10-6-3-7-17-10)13-9-5-2-1-4-8(9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyKGUJFARQLOGYHU-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.23
Rot. Bonds3

About 2-(furan-2-carbonylamino)benzoic acid

2-(furan-2-carbonylamino)benzoic acid (PubChem CID 722854) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)benzoic acid
PubChem CID722854
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name2-(furan-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccco1
InChIInChI=1S/C12H9NO4/c14-11(10-6-3-7-17-10)13-9-5-2-1-4-8(9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyKGUJFARQLOGYHU-UHFFFAOYSA-N
XLogP2.23
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)benzoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)benzoic acid (CID 722854) is 2-(furan-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonylamino)benzoic acid?
The InChIKey is KGUJFARQLOGYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-11(10-6-3-7-17-10)13-9-5-2-1-4-8(9)12(15)16/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 2-(furan-2-carbonylamino)benzoic acid?
2-(furan-2-carbonylamino)benzoic acid has a molecular weight of 231.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)benzoic acid is sourced from PubChem (CID 722854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).