N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

C16H13N3O — CID 135495642

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16(12-6-2-1-3-7-12)19-18-11-13-10-17-15-9-5-4-8-14(13)15/h1-11,17H,(H,19,20)/b18-11+
InChIKeyGPZLLYBQEWHEKL-WOJGMQOQSA-N
MW263.30 g/mol
LogP2.93
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135495642) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135495642
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16(12-6-2-1-3-7-12)19-18-11-13-10-17-15-9-5-4-8-14(13)15/h1-11,17H,(H,19,20)/b18-11+
InChIKeyGPZLLYBQEWHEKL-WOJGMQOQSA-N
XLogP2.93
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (CID 135495642) is N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is GPZLLYBQEWHEKL-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(12-6-2-1-3-7-12)19-18-11-13-10-17-15-9-5-4-8-14(13)15/h1-11,17H,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 263.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135495642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).