4-aminobenzamide;1-benzofuran-2-carboxylic acid

C16H14N2O4 — CID 70131943

IUPAC4-aminobenzamide;1-benzofuran-2-carboxylic acid
SMILESNC(=O)c1ccc(N)cc1.O=C(O)c1cc2ccccc2o1
InChIInChI=1S/C9H6O3.C7H8N2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-6-3-1-5(2-4-6)7(9)10/h1-5H,(H,10,11);1-4H,8H2,(H2,9,10)
InChIKeyRFNPSMHGCDZTRS-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.50
Rot. Bonds2

About 4-aminobenzamide;1-benzofuran-2-carboxylic acid

4-aminobenzamide;1-benzofuran-2-carboxylic acid (PubChem CID 70131943) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-aminobenzamide;1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-aminobenzamide;1-benzofuran-2-carboxylic acid
PubChem CID70131943
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-aminobenzamide;1-benzofuran-2-carboxylic acid
SMILESNC(=O)c1ccc(N)cc1.O=C(O)c1cc2ccccc2o1
InChIInChI=1S/C9H6O3.C7H8N2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-6-3-1-5(2-4-6)7(9)10/h1-5H,(H,10,11);1-4H,8H2,(H2,9,10)
InChIKeyRFNPSMHGCDZTRS-UHFFFAOYSA-N
XLogP2.50
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid
CID 70189415
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide
CID 123923221
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
CID 21188202
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
4-aminobenzamide;methanol
CID 144801245
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzamide;1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-aminobenzamide;1-benzofuran-2-carboxylic acid (CID 70131943) is 4-aminobenzamide;1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-aminobenzamide;1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-aminobenzamide;1-benzofuran-2-carboxylic acid is NC(=O)c1ccc(N)cc1.O=C(O)c1cc2ccccc2o1.
What is the InChIKey of 4-aminobenzamide;1-benzofuran-2-carboxylic acid?
The InChIKey is RFNPSMHGCDZTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3.C7H8N2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-6-3-1-5(2-4-6)7(9)10/h1-5H,(H,10,11);1-4H,8H2,(H2,9,10).
What are the key properties of 4-aminobenzamide;1-benzofuran-2-carboxylic acid?
4-aminobenzamide;1-benzofuran-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzamide;1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 70131943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).