N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

C18H17N3O — CID 2161891

IUPACN-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O/c1-13-10-15-4-2-3-5-17(15)21(13)12-18(22)20-16-8-6-14(11-19)7-9-16/h2-9,13H,10,12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyBDPKZPASXFWTHY-CYBMUJFWSA-N
MW291.35 g/mol
LogP2.95
Rot. Bonds3

About N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 2161891) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID2161891
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O/c1-13-10-15-4-2-3-5-17(15)21(13)12-18(22)20-16-8-6-14(11-19)7-9-16/h2-9,13H,10,12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyBDPKZPASXFWTHY-CYBMUJFWSA-N
XLogP2.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 4818217
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-(2-cyanophenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2503334
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652917
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009436
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78832981
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

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (CID 2161891) is N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is BDPKZPASXFWTHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-10-15-4-2-3-5-17(15)21(13)12-18(22)20-16-8-6-14(11-19)7-9-16/h2-9,13H,10,12H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 2161891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).