N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide

C19H24ClN3O2 — CID 91948684

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NC2CN3CCC2CC3)c2ccc(Cl)cc21
InChIInChI=1S/C19H24ClN3O2/c1-19(2)14-9-13(20)3-4-16(14)23(18(19)25)11-17(24)21-15-10-22-7-5-12(15)6-8-22/h3-4,9,12,15H,5-8,10-11H2,1-2H3,(H,21,24)
InChIKeyMOLXNFWKGGYQBI-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.17
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide (PubChem CID 91948684) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
PubChem CID91948684
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NC2CN3CCC2CC3)c2ccc(Cl)cc21
InChIInChI=1S/C19H24ClN3O2/c1-19(2)14-9-13(20)3-4-16(14)23(18(19)25)11-17(24)21-15-10-22-7-5-12(15)6-8-22/h3-4,9,12,15H,5-8,10-11H2,1-2H3,(H,21,24)
InChIKeyMOLXNFWKGGYQBI-UHFFFAOYSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide with MolForge

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Related Compounds

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide
CID 110279183
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 91945450
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53057389
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]acetamide
CID 95749342
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 53057392
N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576
N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057430
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide
CID 95754895
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279612

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide (CID 91948684) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide is CC1(C)C(=O)N(CC(=O)NC2CN3CCC2CC3)c2ccc(Cl)cc21.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide?
The InChIKey is MOLXNFWKGGYQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-19(2)14-9-13(20)3-4-16(14)23(18(19)25)11-17(24)21-15-10-22-7-5-12(15)6-8-22/h3-4,9,12,15H,5-8,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide has a molecular weight of 361.87 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide is sourced from PubChem (CID 91948684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).