3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid

C19H14N2O5 — CID 905918

IUPAC3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14N2O5/c22-17(20-13-6-3-5-12(11-13)19(24)25)14-7-1-2-8-15(14)21-18(23)16-9-4-10-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)
InChIKeyDRGBJEBIIJHOSV-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.48
Rot. Bonds5

About 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid

3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid (PubChem CID 905918) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid
PubChem CID905918
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14N2O5/c22-17(20-13-6-3-5-12(11-13)19(24)25)14-7-1-2-8-15(14)21-18(23)16-9-4-10-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)
InChIKeyDRGBJEBIIJHOSV-UHFFFAOYSA-N
XLogP3.48
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid (CID 905918) is 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1.
What is the InChIKey of 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid?
The InChIKey is DRGBJEBIIJHOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-17(20-13-6-3-5-12(11-13)19(24)25)14-7-1-2-8-15(14)21-18(23)16-9-4-10-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid?
3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid has a molecular weight of 350.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-carbonylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 905918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).