N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride

C18H20Cl3N3O — CID 120847429

IUPACN-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc2c1NCC2.Cl
InChIInChI=1S/C18H19Cl2N3O.ClH/c1-23(10-13-5-2-4-12-8-9-21-17(12)13)11-16(24)22-18-14(19)6-3-7-15(18)20;/h2-7,21H,8-11H2,1H3,(H,22,24);1H
InChIKeyWIPBWYJMRJRXBW-UHFFFAOYSA-N
MW400.74 g/mol
LogP4.45
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride

N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride (PubChem CID 120847429) has the molecular formula C18H20Cl3N3O and a molecular weight of 400.74 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride
PubChem CID120847429
Molecular FormulaC18H20Cl3N3O
Molecular Weight400.74 g/mol
Exact Mass399.07
IUPAC NameN-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc2c1NCC2.Cl
InChIInChI=1S/C18H19Cl2N3O.ClH/c1-23(10-13-5-2-4-12-8-9-21-17(12)13)11-16(24)22-18-14(19)6-3-7-15(18)20;/h2-7,21H,8-11H2,1H3,(H,22,24);1H
InChIKeyWIPBWYJMRJRXBW-UHFFFAOYSA-N
XLogP4.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide
CID 120847738
N-(2,6-difluorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]acetamide
CID 120847730
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
2-(2,3-dihydro-1H-indol-7-yl)-N-methylacetamide
CID 115105290
2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120847394
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride (CID 120847429) is N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride is CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc2c1NCC2.Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride?
The InChIKey is WIPBWYJMRJRXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O.ClH/c1-23(10-13-5-2-4-12-8-9-21-17(12)13)11-16(24)22-18-14(19)6-3-7-15(18)20;/h2-7,21H,8-11H2,1H3,(H,22,24);1H.
What are the key properties of N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride?
N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride has a molecular weight of 400.74 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 120847429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).