4-amino-N-(1H-indol-3-yl)-N-methylbenzamide

C16H15N3O — CID 115160993

IUPAC4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c1-19(16(20)11-6-8-12(17)9-7-11)15-10-18-14-5-3-2-4-13(14)15/h2-10,18H,17H2,1H3
InChIKeyNDKKWQBYIZZDBQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.03
Rot. Bonds2

About 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide

4-amino-N-(1H-indol-3-yl)-N-methylbenzamide (PubChem CID 115160993) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
PubChem CID115160993
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c1-19(16(20)11-6-8-12(17)9-7-11)15-10-18-14-5-3-2-4-13(14)15/h2-10,18H,17H2,1H3
InChIKeyNDKKWQBYIZZDBQ-UHFFFAOYSA-N
XLogP3.03
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide 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

4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
CID 117041220
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
1,1-bis(1H-indol-3-yl)urea
CID 57486091
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
N-(1H-indol-3-yl)-N-methylpiperidine-2-carboxamide
CID 115159733
2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
CID 115157790
2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
CID 115188570
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-(6-amino-3-pyridinyl)-N-methyl-1H-indole-3-carboxamide
CID 115274564
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818979
4-amino-N-(3-chloro-2-fluorophenyl)-N-methylbenzamide
CID 126649358

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide (CID 115160993) is 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide?
The InChIKey is NDKKWQBYIZZDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(16(20)11-6-8-12(17)9-7-11)15-10-18-14-5-3-2-4-13(14)15/h2-10,18H,17H2,1H3.
What are the key properties of 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide?
4-amino-N-(1H-indol-3-yl)-N-methylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-indol-3-yl)-N-methylbenzamide is sourced from PubChem (CID 115160993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).