3,4-bis(furan-2-carbonylamino)benzoic acid

C17H12N2O6 — CID 740282

IUPAC3,4-bis(furan-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H12N2O6/c20-15(13-3-1-7-24-13)18-11-6-5-10(17(22)23)9-12(11)19-16(21)14-4-2-8-25-14/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyORDGTUOCHROOLP-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.08
Rot. Bonds5

About 3,4-bis(furan-2-carbonylamino)benzoic acid

3,4-bis(furan-2-carbonylamino)benzoic acid (PubChem CID 740282) has the molecular formula C17H12N2O6 and a molecular weight of 340.29 g/mol. Its IUPAC name is 3,4-bis(furan-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3,4-bis(furan-2-carbonylamino)benzoic acid
PubChem CID740282
Molecular FormulaC17H12N2O6
Molecular Weight340.29 g/mol
Exact Mass340.07
IUPAC Name3,4-bis(furan-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H12N2O6/c20-15(13-3-1-7-24-13)18-11-6-5-10(17(22)23)9-12(11)19-16(21)14-4-2-8-25-14/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyORDGTUOCHROOLP-UHFFFAOYSA-N
XLogP3.08
TPSA121.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Furan-2-carbonyl)-amino]-benzoic acid
CID 722854
4-(Benzofuran-2-carboxamido)benzoic acid
CID 704202
4-(((5-Methyl-2-furanyl)carbonyl)amino)benzeneacetic acid
CID 800730
4-[4-(Furan-2-amido)benzamido]-2-hydroxybenzoic acid
CID 6496838
5-[4-(Furan-2-amido)benzamido]-2-hydroxybenzoic acid
CID 9324490
N-(2-amino-5-(furan-2-yl)phenyl)benzamide
CID 46830328
3,5-Bis-[(furan-2-carbonyl)-amino]-benzoic acid
CID 877786
N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 880238
N-{3-[(3-acetylphenyl)carbamoyl]phenyl}furan-2-carboxamide
CID 894360
3-[({2-[(Furan-2-ylcarbonyl)amino]phenyl}carbonyl)amino]benzoic acid
CID 905918
N-{2-[(3-ethoxybenzoyl)amino]-4-methylphenyl}-2-furamide
CID 1026582
N-{2-[(2-ethoxybenzoyl)amino]-4-methylphenyl}-2-furamide
CID 1026585

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(furan-2-carbonylamino)benzoic acid?
The IUPAC name of 3,4-bis(furan-2-carbonylamino)benzoic acid (CID 740282) is 3,4-bis(furan-2-carbonylamino)benzoic acid.
What is the SMILES notation for 3,4-bis(furan-2-carbonylamino)benzoic acid?
The canonical SMILES for 3,4-bis(furan-2-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1.
What is the InChIKey of 3,4-bis(furan-2-carbonylamino)benzoic acid?
The InChIKey is ORDGTUOCHROOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O6/c20-15(13-3-1-7-24-13)18-11-6-5-10(17(22)23)9-12(11)19-16(21)14-4-2-8-25-14/h1-9H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 3,4-bis(furan-2-carbonylamino)benzoic acid?
3,4-bis(furan-2-carbonylamino)benzoic acid has a molecular weight of 340.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(furan-2-carbonylamino)benzoic acid is sourced from PubChem (CID 740282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).