1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one

C24H19ClF3NO2 — CID 170071794

IUPAC1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(Cc2c(Cl)cccc2OCc2cc(F)cc(F)c2)c2cc(F)ccc21
InChIInChI=1S/C24H19ClF3NO2/c1-24(2)19-7-6-15(26)11-21(19)29(23(24)30)12-18-20(25)4-3-5-22(18)31-13-14-8-16(27)10-17(28)9-14/h3-11H,12-13H2,1-2H3
InChIKeyHYTAJDSPGXILOE-UHFFFAOYSA-N
MW445.87 g/mol
LogP6.16
Rot. Bonds5

About 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one

1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one (PubChem CID 170071794) has the molecular formula C24H19ClF3NO2 and a molecular weight of 445.87 g/mol. Its IUPAC name is 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one
PubChem CID170071794
Molecular FormulaC24H19ClF3NO2
Molecular Weight445.87 g/mol
Exact Mass445.11
IUPAC Name1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(Cc2c(Cl)cccc2OCc2cc(F)cc(F)c2)c2cc(F)ccc21
InChIInChI=1S/C24H19ClF3NO2/c1-24(2)19-7-6-15(26)11-21(19)29(23(24)30)12-18-20(25)4-3-5-22(18)31-13-14-8-16(27)10-17(28)9-14/h3-11H,12-13H2,1-2H3
InChIKeyHYTAJDSPGXILOE-UHFFFAOYSA-N
XLogP6.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.87
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one with MolForge

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Related Compounds

3-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]butyl]-3-methyl-1H-indol-2-one;hydrochloride
CID 44535251
5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
3-[(3-chloro-4-fluorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one
CID 49795088
1-((p-Chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-2-indolinone
CID 38640
2-Indolinone, 1-((5-chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-
CID 38641
1-Benzyl-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)indol-2-one
CID 163364707
5-Chloro-3-(2-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 9867967
5-Chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one
CID 15521777
1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259110
1'-[2-(2-Chloro-4-methoxyphenyl)acetyl]-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177166
5-Chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 18752920
1-Methyl-1'-{2-(2-trifluoromethylphenoxy)acetyl}spiro(indol e-3,4'-piperidine)-2-one
CID 25119794

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one?
The IUPAC name of 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one (CID 170071794) is 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one?
The canonical SMILES for 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one is CC1(C)C(=O)N(Cc2c(Cl)cccc2OCc2cc(F)cc(F)c2)c2cc(F)ccc21.
What is the InChIKey of 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one?
The InChIKey is HYTAJDSPGXILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3NO2/c1-24(2)19-7-6-15(26)11-21(19)29(23(24)30)12-18-20(25)4-3-5-22(18)31-13-14-8-16(27)10-17(28)9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one?
1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one has a molecular weight of 445.87 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methyl]-6-fluoro-3,3-dimethylindol-2-one is sourced from PubChem (CID 170071794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).