2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide

C21H22ClFN2O2 — CID 110279612

IUPAC2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
SMILESCC(CNC(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21)c1ccc(F)cc1
InChIInChI=1S/C21H22ClFN2O2/c1-13(14-4-7-16(23)8-5-14)11-24-19(26)12-25-18-9-6-15(22)10-17(18)21(2,3)20(25)27/h4-10,13H,11-12H2,1-3H3,(H,24,26)
InChIKeyCQVJAGCYQPTLFQ-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.02
Rot. Bonds5

About 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide (PubChem CID 110279612) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
PubChem CID110279612
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
SMILESCC(CNC(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21)c1ccc(F)cc1
InChIInChI=1S/C21H22ClFN2O2/c1-13(14-4-7-16(23)8-5-14)11-24-19(26)12-25-18-9-6-15(22)10-17(18)21(2,3)20(25)27/h4-10,13H,11-12H2,1-3H3,(H,24,26)
InChIKeyCQVJAGCYQPTLFQ-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 53057392
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-(cyclopropylmethyl)acetamide
CID 91945450
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-phenylpropyl)acetamide
CID 50767600
N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057430
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279440
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7181255
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 91948684
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-[1-(cyanomethyl)pyrazol-3-yl]acetamide
CID 95754895
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide
CID 110279183

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide (CID 110279612) is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide is CC(CNC(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21)c1ccc(F)cc1.
What is the InChIKey of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide?
The InChIKey is CQVJAGCYQPTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-13(14-4-7-16(23)8-5-14)11-24-19(26)12-25-18-9-6-15(22)10-17(18)21(2,3)20(25)27/h4-10,13H,11-12H2,1-3H3,(H,24,26).
What are the key properties of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide?
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide has a molecular weight of 388.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 110279612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).