N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide

C18H12N2O3 — CID 22105402

IUPACN-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide
SMILESO=Cc1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1
InChIInChI=1S/C18H12N2O3/c21-10-14-8-12-7-13(5-6-15(12)19-14)20-18(22)17-9-11-3-1-2-4-16(11)23-17/h1-10,19H,(H,20,22)
InChIKeyWPPNGTHFPLQCKQ-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.98
Rot. Bonds3

About N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide

N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 22105402) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID22105402
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC NameN-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide
SMILESO=Cc1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1
InChIInChI=1S/C18H12N2O3/c21-10-14-8-12-7-13(5-6-15(12)19-14)20-18(22)17-9-11-3-1-2-4-16(11)23-17/h1-10,19H,(H,20,22)
InChIKeyWPPNGTHFPLQCKQ-UHFFFAOYSA-N
XLogP3.98
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 54858220
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108445
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617

Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide (CID 22105402) is N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide is O=Cc1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1.
What is the InChIKey of N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WPPNGTHFPLQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-10-14-8-12-7-13(5-6-15(12)19-14)20-18(22)17-9-11-3-1-2-4-16(11)23-17/h1-10,19H,(H,20,22).
What are the key properties of N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide?
N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22105402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).