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

C17H15N3O2 — CID 135458765

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H15N3O2/c1-22-14-6-4-5-12(9-14)17(21)20-19-11-13-10-18-16-8-3-2-7-15(13)16/h2-11,18H,1H3,(H,20,21)/b19-11+
InChIKeyCDHZKCZGPXGKFN-YBFXNURJSA-N
MW293.33 g/mol
LogP2.94
Rot. Bonds4

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

N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide (PubChem CID 135458765) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
PubChem CID135458765
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H15N3O2/c1-22-14-6-4-5-12(9-14)17(21)20-19-11-13-10-18-16-8-3-2-7-15(13)16/h2-11,18H,1H3,(H,20,21)/b19-11+
InChIKeyCDHZKCZGPXGKFN-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'}

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

N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135957370
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135606782
3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 136705009

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide (CID 135458765) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide?
The InChIKey is CDHZKCZGPXGKFN-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-6-4-5-12(9-14)17(21)20-19-11-13-10-18-16-8-3-2-7-15(13)16/h2-11,18H,1H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 135458765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).