N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide

C18H13N3O2 — CID 135439694

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C18H13N3O2/c22-18(17-9-12-5-1-4-8-16(12)23-17)21-20-11-13-10-19-15-7-3-2-6-14(13)15/h1-11,19H,(H,21,22)/b20-11+
InChIKeySYWJVRFLUWEOAJ-RGVLZGJSSA-N
MW303.32 g/mol
LogP3.68
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 135439694) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide
PubChem CID135439694
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C18H13N3O2/c22-18(17-9-12-5-1-4-8-16(12)23-17)21-20-11-13-10-19-15-7-3-2-6-14(13)15/h1-11,19H,(H,21,22)/b20-11+
InChIKeySYWJVRFLUWEOAJ-RGVLZGJSSA-N
XLogP3.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vilazodone
CID 6918314
2-benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1)
CID 6918313
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
(benzo[b]furan-2-yl)-(1H-indol-2-yl)methanone
CID 44423635
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
N'-[1-(2-furyl)ethylidene]-1H-indole-3-carbohydrazide
CID 5340769
5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide
CID 11316467
N'-(1H-indol-3-ylmethylene)-4-methoxybenzohydrazide
CID 135412131
[2-(1H-Indol-3-yl)-1-(1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid benzofuran-2-ylmethyl ester
CID 44313273
N'-(1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 2390945
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 7677977

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide (CID 135439694) is N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is SYWJVRFLUWEOAJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18(17-9-12-5-1-4-8-16(12)23-17)21-20-11-13-10-19-15-7-3-2-6-14(13)15/h1-11,19H,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135439694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).