3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide

C17H19N3O — CID 62097018

IUPAC3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
SMILESCN1CCc2cc(CNc3cccc(C(N)=O)c3)ccc21
InChIInChI=1S/C17H19N3O/c1-20-8-7-13-9-12(5-6-16(13)20)11-19-15-4-2-3-14(10-15)17(18)21/h2-6,9-10,19H,7-8,11H2,1H3,(H2,18,21)
InChIKeyJMSVYWLFIZWFRL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.39
Rot. Bonds4

About 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide

3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide (PubChem CID 62097018) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
PubChem CID62097018
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
SMILESCN1CCc2cc(CNc3cccc(C(N)=O)c3)ccc21
InChIInChI=1S/C17H19N3O/c1-20-8-7-13-9-12(5-6-16(13)20)11-19-15-4-2-3-14(10-15)17(18)21/h2-6,9-10,19H,7-8,11H2,1H3,(H2,18,21)
InChIKeyJMSVYWLFIZWFRL-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
CID 62097365
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
3-ethynyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62072233
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide?
The IUPAC name of 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide (CID 62097018) is 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide.
What is the SMILES notation for 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide?
The canonical SMILES for 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide is CN1CCc2cc(CNc3cccc(C(N)=O)c3)ccc21.
What is the InChIKey of 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide?
The InChIKey is JMSVYWLFIZWFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-8-7-13-9-12(5-6-16(13)20)11-19-15-4-2-3-14(10-15)17(18)21/h2-6,9-10,19H,7-8,11H2,1H3,(H2,18,21).
What are the key properties of 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide?
3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide is sourced from PubChem (CID 62097018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).