4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide

C17H19N3O — CID 63360633

IUPAC4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-2-19-17(21)13-7-8-14(18)16(11-13)20-10-9-12-5-3-4-6-15(12)20/h3-8,11H,2,9-10,18H2,1H3,(H,19,21)
InChIKeyVNMMZESPXJNNER-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.71
Rot. Bonds3

About 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide

4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide (PubChem CID 63360633) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
PubChem CID63360633
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-2-19-17(21)13-7-8-14(18)16(11-13)20-10-9-12-5-3-4-6-15(12)20/h3-8,11H,2,9-10,18H2,1H3,(H,19,21)
InChIKeyVNMMZESPXJNNER-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
CID 63360632
methyl 4-amino-3-(2,3-dihydroindol-1-yl)benzoate
CID 82785876
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
CID 55188948
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide
CID 63358993
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
CID 86070231
4-amino-3-anilino-N-ethylbenzamide
CID 55188757

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide (CID 63360633) is 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(N2CCc3ccccc32)c1.
What is the InChIKey of 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide?
The InChIKey is VNMMZESPXJNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-19-17(21)13-7-8-14(18)16(11-13)20-10-9-12-5-3-4-6-15(12)20/h3-8,11H,2,9-10,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide?
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide is sourced from PubChem (CID 63360633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).