N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride

C18H21ClN2O — CID 119473855

IUPACN-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C)c(CC(=O)Nc2ccc3c(c2)CCN3)c1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-12-3-4-13(2)15(9-12)11-18(21)20-16-5-6-17-14(10-16)7-8-19-17;/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21);1H
InChIKeyZKZQBFFAJZCJON-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.87
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride

N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride (PubChem CID 119473855) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
PubChem CID119473855
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C)c(CC(=O)Nc2ccc3c(c2)CCN3)c1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-12-3-4-13(2)15(9-12)11-18(21)20-16-5-6-17-14(10-16)7-8-19-17;/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21);1H
InChIKeyZKZQBFFAJZCJON-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
2-acetamido-N-(2,3-dihydro-1H-indol-5-yl)acetamide
CID 63253037
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
CID 119473853
2-(2,5-dimethylphenyl)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 64793457
N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119473758
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide
CID 63834008

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride (CID 119473855) is N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride is Cc1ccc(C)c(CC(=O)Nc2ccc3c(c2)CCN3)c1.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride?
The InChIKey is ZKZQBFFAJZCJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c1-12-3-4-13(2)15(9-12)11-18(21)20-16-5-6-17-14(10-16)7-8-19-17;/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride?
N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119473855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).