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

C18H15Cl2FN2O2 — CID 53057407

IUPAC2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc21
InChIInChI=1S/C18H15Cl2FN2O2/c1-18(2)12-7-10(19)3-6-15(12)23(17(18)25)9-16(24)22-11-4-5-14(21)13(20)8-11/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyVSHUCNXYABSCKR-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.40
Rot. Bonds3

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

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 53057407) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID53057407
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc21
InChIInChI=1S/C18H15Cl2FN2O2/c1-18(2)12-7-10(19)3-6-15(12)23(17(18)25)9-16(24)22-11-4-5-14(21)13(20)8-11/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyVSHUCNXYABSCKR-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.40
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-[1-(cyclopropylmethyl)pyrazol-4-yl]acetamide
CID 95749342
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-[2-(4-fluorophenyl)propyl]acetamide
CID 110279612
N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 55327744
2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 50767659
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide
CID 95754895
N-(4-ethylphenyl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057444
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 91948684
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 4214457

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (CID 53057407) is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide is CC1(C)C(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is VSHUCNXYABSCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c1-18(2)12-7-10(19)3-6-15(12)23(17(18)25)9-16(24)22-11-4-5-14(21)13(20)8-11/h3-8H,9H2,1-2H3,(H,22,24).
What are the key properties of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 381.23 g/mol, XLogP of 4.40, 3 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-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 53057407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).