2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid

C17H12N2O5 — CID 919614

IUPAC2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C17H12N2O5/c20-15(11-6-2-3-7-12(11)17(22)23)18-19-16(21)14-9-10-5-1-4-8-13(10)24-14/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyRYZKNHCCYHTTMZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.21
Rot. Bonds3

About 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid

2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid (PubChem CID 919614) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid
PubChem CID919614
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C17H12N2O5/c20-15(11-6-2-3-7-12(11)17(22)23)18-19-16(21)14-9-10-5-1-4-8-13(10)24-14/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyRYZKNHCCYHTTMZ-UHFFFAOYSA-N
XLogP2.21
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxybenzoyl)-1-benzofuran-2-carbohydrazide
CID 7661749
Naphtho[2,1-b]furan-2-carbohydrazide
CID 2764524
N-(benzo[d]furan-2-ylcarbonylamino)-2-phenoxyacetamide
CID 725695
N'-(2-(4-ethylphenoxy)acetyl)benzofuran-2-carbohydrazide
CID 725700
N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide
CID 4780828
5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 18109116
N'-(4-chlorobenzoyl)-1-benzofuran-2-carbohydrazide
CID 930590
N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide
CID 2598554
N''-butylbenzofuran-2-carbohydrazide
CID 139575810
3-Methyl-1-benzofuran-2-carbohydrazide
CID 1989411
N'-[2-(4-methylphenoxy)-1-oxoethyl]-2-benzofurancarbohydrazide
CID 725697
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 725702

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid?
The IUPAC name of 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid (CID 919614) is 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid is O=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2o1.
What is the InChIKey of 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid?
The InChIKey is RYZKNHCCYHTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-15(11-6-2-3-7-12(11)17(22)23)18-19-16(21)14-9-10-5-1-4-8-13(10)24-14/h1-9H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid?
2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid has a molecular weight of 324.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzofuran-2-carbonylamino)carbamoyl]benzoic acid is sourced from PubChem (CID 919614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).