2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide

C22H22Cl2F3N3O2 — CID 57479223

IUPAC2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(=O)NCC(F)(F)F)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C22H22Cl2F3N3O2/c1-13(2)30(11-19(31)28-12-22(25,26)27)21(10-14-4-3-5-15(23)8-14)17-7-6-16(24)9-18(17)29-20(21)32/h3-9,13H,10-12H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyIBOZUAUOVPFVAI-UHFFFAOYSA-N
MW488.34 g/mol
LogP4.77
Rot. Bonds7

About 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 57479223) has the molecular formula C22H22Cl2F3N3O2 and a molecular weight of 488.34 g/mol. Its IUPAC name is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID57479223
Molecular FormulaC22H22Cl2F3N3O2
Molecular Weight488.34 g/mol
Exact Mass487.10
IUPAC Name2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(=O)NCC(F)(F)F)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C22H22Cl2F3N3O2/c1-13(2)30(11-19(31)28-12-22(25,26)27)21(10-14-4-3-5-15(23)8-14)17-7-6-16(24)9-18(17)29-20(21)32/h3-9,13H,10-12H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyIBOZUAUOVPFVAI-UHFFFAOYSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.34
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-piperidin-4-ylacetamide;propane-2-thiol
CID 143646843
[4-[[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]acetyl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174575199
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-pentan-3-ylamino]-N-cyclohexylacetamide
CID 57479231
3-[2-aminoethyl(butan-2-yl)amino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 68566776
(4-acetylpiperazin-1-yl) N-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethyl]carbamate
CID 68564562
6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-methylbutan-2-yl-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]amino]-1H-indol-2-one
CID 57479211
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide
CID 57479175
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-(3-methylcyclohexyl)amino]-N-cyclobutylacetamide
CID 66991784
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R,3R)-3-methylcyclohexyl]amino]-N-cyclobutylacetamide
CID 57479200
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cycloheptylamino]acetic acid
CID 57479159
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 57479223) is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(=O)NCC(F)(F)F)C1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IBOZUAUOVPFVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F3N3O2/c1-13(2)30(11-19(31)28-12-22(25,26)27)21(10-14-4-3-5-15(23)8-14)17-7-6-16(24)9-18(17)29-20(21)32/h3-9,13H,10-12H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 488.34 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 57479223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).