5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid

C19H12N2O7 — CID 71013533

IUPAC5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
SMILESO=C(Nc1ccc2oc(C(=O)O)cc2c1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C19H12N2O7/c22-17(23)15-7-9-5-11(1-3-13(9)27-15)20-19(26)21-12-2-4-14-10(6-12)8-16(28-14)18(24)25/h1-8H,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeyAILGIAHEXSLTKY-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.22
Rot. Bonds4

About 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid

5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid (PubChem CID 71013533) has the molecular formula C19H12N2O7 and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
PubChem CID71013533
Molecular FormulaC19H12N2O7
Molecular Weight380.31 g/mol
Exact Mass380.06
IUPAC Name5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
SMILESO=C(Nc1ccc2oc(C(=O)O)cc2c1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C19H12N2O7/c22-17(23)15-7-9-5-11(1-3-13(9)27-15)20-19(26)21-12-2-4-14-10(6-12)8-16(28-14)18(24)25/h1-8H,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeyAILGIAHEXSLTKY-UHFFFAOYSA-N
XLogP4.22
TPSA142.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690748
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690901
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
CID 89093866
CID 89093866
5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690885
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811
5-(2-butoxypropanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690744
[5-[(2-carbonochloridoyl-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-yl]methyl hypochlorite
CID 89187918

Frequently Asked Questions

What is the IUPAC name of 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid (CID 71013533) is 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid is O=C(Nc1ccc2oc(C(=O)O)cc2c1)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid?
The InChIKey is AILGIAHEXSLTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O7/c22-17(23)15-7-9-5-11(1-3-13(9)27-15)20-19(26)21-12-2-4-14-10(6-12)8-16(28-14)18(24)25/h1-8H,(H,22,23)(H,24,25)(H2,20,21,26).
What are the key properties of 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid?
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid has a molecular weight of 380.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 71013533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).