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

C17H15N3O2 — CID 135603782

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-22-16-9-5-3-7-14(16)17(21)20-19-11-12-10-18-15-8-4-2-6-13(12)15/h2-11,18H,1H3,(H,20,21)/b19-11+
InChIKeyNBSCXBJCCKOGPU-YBFXNURJSA-N
MW293.33 g/mol
LogP2.94
Rot. Bonds4

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

N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide (PubChem CID 135603782) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide
PubChem CID135603782
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-22-16-9-5-3-7-14(16)17(21)20-19-11-12-10-18-15-8-4-2-6-13(12)15/h2-11,18H,1H3,(H,20,21)/b19-11+
InChIKeyNBSCXBJCCKOGPU-YBFXNURJSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.94
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'}

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Related Compounds

Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135613205
2-Hydroxy-N'-(1H-indol-3-ylmethylene)benzohydrazide
CID 135643123
N'-[1-(2-furyl)ethylidene]-1H-indole-3-carbohydrazide
CID 5340769
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
N'-(1H-indol-3-ylmethylene)-4-methoxybenzohydrazide
CID 135412131
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 858406
N-(1H-indol-5-yl)-4-methoxybenzamide
CID 2814507

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide (CID 135603782) is N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide?
The InChIKey is NBSCXBJCCKOGPU-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-16-9-5-3-7-14(16)17(21)20-19-11-12-10-18-15-8-4-2-6-13(12)15/h2-11,18H,1H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2-methoxybenzamide has a molecular weight of 293.33 g/mol, XLogP of 2.94, 4 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]-2-methoxybenzamide is sourced from PubChem (CID 135603782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).