N-(1H-indol-3-ylmethylideneamino)benzamide

C16H13N3O — CID 678357

IUPACN-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1c[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)
InChIKeyGPZLLYBQEWHEKL-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.93
Rot. Bonds3

About N-(1H-indol-3-ylmethylideneamino)benzamide

N-(1H-indol-3-ylmethylideneamino)benzamide (PubChem CID 678357) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)benzamide
PubChem CID678357
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1c[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)
InChIKeyGPZLLYBQEWHEKL-UHFFFAOYSA-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'}

Analyze N-(1H-indol-3-ylmethylideneamino)benzamide 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)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)benzamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)benzamide (CID 678357) is N-(1H-indol-3-ylmethylideneamino)benzamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)benzamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)benzamide is O=C(NN=Cc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)benzamide?
The InChIKey is GPZLLYBQEWHEKL-UHFFFAOYSA-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).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)benzamide?
N-(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-(1H-indol-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 678357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).