6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one

C22H15Cl2F3N2O2 — CID 24950440

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H15Cl2F3N2O2/c23-14-4-1-3-13(9-14)12-21(18-8-7-15(24)10-19(18)28-20(21)30)29-16-5-2-6-17(11-16)31-22(25,26)27/h1-11,29H,12H2,(H,28,30)
InChIKeyICGGMXMBZJRAJE-UHFFFAOYSA-N
MW467.27 g/mol
LogP6.39
Rot. Bonds5

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one (PubChem CID 24950440) has the molecular formula C22H15Cl2F3N2O2 and a molecular weight of 467.27 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one
PubChem CID24950440
Molecular FormulaC22H15Cl2F3N2O2
Molecular Weight467.27 g/mol
Exact Mass466.05
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H15Cl2F3N2O2/c23-14-4-1-3-13(9-14)12-21(18-8-7-15(24)10-19(18)28-20(21)30)29-16-5-2-6-17(11-16)31-22(25,26)27/h1-11,29H,12H2,(H,28,30)
InChIKeyICGGMXMBZJRAJE-UHFFFAOYSA-N
XLogP6.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.27
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
CID 24950436
(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
CID 132839204
6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
CID 141199660
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
tert-butyl 2-[[4-bromo-2-[[(3S)-6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]benzoyl]amino]propanoate
CID 66992197
[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate
CID 68564856
3-chloro-N-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]benzamide
CID 38033870
3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 57479042
N-[2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]propan-2-ylamino]ethyl]methanesulfonamide
CID 68562696
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide
CID 66991650
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 57479223
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
CID 24950916

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one (CID 24950440) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one?
The InChIKey is ICGGMXMBZJRAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N2O2/c23-14-4-1-3-13(9-14)12-21(18-8-7-15(24)10-19(18)28-20(21)30)29-16-5-2-6-17(11-16)31-22(25,26)27/h1-11,29H,12H2,(H,28,30).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one has a molecular weight of 467.27 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one is sourced from PubChem (CID 24950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).