4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide

C18H19N3O2 — CID 4818217

IUPAC4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-10-14-4-2-3-5-16(14)21(12)11-17(22)20-15-8-6-13(7-9-15)18(19)23/h2-9,12H,10-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyRSVHDRYERNJOQM-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.18
Rot. Bonds4

About 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide

4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide (PubChem CID 4818217) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
PubChem CID4818217
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-10-14-4-2-3-5-16(14)21(12)11-17(22)20-15-8-6-13(7-9-15)18(19)23/h2-9,12H,10-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyRSVHDRYERNJOQM-UHFFFAOYSA-N
XLogP2.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 82032292
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2161891
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009436
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2484554
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3289813
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 51159788
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
N-(2-fluorophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652898
N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide (CID 4818217) is 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide is CC1Cc2ccccc2N1CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The InChIKey is RSVHDRYERNJOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-10-14-4-2-3-5-16(14)21(12)11-17(22)20-15-8-6-13(7-9-15)18(19)23/h2-9,12H,10-11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4818217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).