5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid

C19H14N2O6 — CID 9324490

IUPAC5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(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)
InChIKeyWCJCTRHTVZUWSD-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.19
Rot. Bonds5

About 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid

5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid (PubChem CID 9324490) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid
PubChem CID9324490
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(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)
InChIKeyWCJCTRHTVZUWSD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(Benzofuran-2-carboxamido)benzoic acid
CID 704202
Butyl 3-[(1-benzofuran-2-ylcarbonyl)amino]benzoate
CID 1567373
4-[4-(Furan-2-amido)benzamido]-2-hydroxybenzoic acid
CID 6496838
[2-(2-Butan-2-ylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4365273
3-[[2-Benzofuranyl(oxo)methyl]amino]benzoic acid ethyl ester
CID 682562
3-[(Benzofuran-2-carbonyl)-amino]-benzoic acid methyl ester
CID 684790
3,4-Bis-[(furan-2-carbonyl)-amino]-benzoic acid
CID 740282
3,5-Bis-[(furan-2-carbonyl)-amino]-benzoic acid
CID 877786
N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 880238
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 888533
N-{3-[(3-acetylphenyl)carbamoyl]phenyl}furan-2-carboxamide
CID 894360
3-[({2-[(Furan-2-ylcarbonyl)amino]phenyl}carbonyl)amino]benzoic acid
CID 905918

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid (CID 9324490) is 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is WCJCTRHTVZUWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(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 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid?
5-[[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 5-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 9324490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).