4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid

C19H14N2O6 — CID 6496838

IUPAC4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
InChIKeyHUPASKFDURPNGE-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.19
Rot. Bonds5

About 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid

4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid (PubChem CID 6496838) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid
PubChem CID6496838
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
InChIKeyHUPASKFDURPNGE-UHFFFAOYSA-N
XLogP3.19
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid (CID 6496838) is 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is HUPASKFDURPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26).
What are the key properties of 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 366.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 6496838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).