2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide

C49H33Cl5F6N6O4 — CID 87661340

IUPAC2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)ccn1.Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(C)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H18Cl2F3N3O2.C24H15Cl3F3N3O2/c1-13-3-6-20-18(9-13)21(22(34)24(35)32-17-7-8-31-14(2)10-17)23(25(28,29)30)33(20)12-15-4-5-16(26)11-19(15)27;1-12-8-16(6-7-31-12)32-23(35)21(34)20-17-9-14(25)4-5-19(17)33(22(20)24(28,29)30)11-13-2-3-15(26)10-18(13)27/h3-11H,12H2,1-2H3,(H,31,32,35);2-10H,11H2,1H3,(H,31,32,35)
InChIKeyYJKRWCFZQFHMKM-UHFFFAOYSA-N
MW1061.09 g/mol
LogP14.04
Rot. Bonds10

About 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide

2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide (PubChem CID 87661340) has the molecular formula C49H33Cl5F6N6O4 and a molecular weight of 1061.09 g/mol. Its IUPAC name is 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
PubChem CID87661340
Molecular FormulaC49H33Cl5F6N6O4
Molecular Weight1061.09 g/mol
Exact Mass1058.09
IUPAC Name2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)ccn1.Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(C)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H18Cl2F3N3O2.C24H15Cl3F3N3O2/c1-13-3-6-20-18(9-13)21(22(34)24(35)32-17-7-8-31-14(2)10-17)23(25(28,29)30)33(20)12-15-4-5-16(26)11-19(15)27;1-12-8-16(6-7-31-12)32-23(35)21(34)20-17-9-14(25)4-5-19(17)33(22(20)24(28,29)30)11-13-2-3-15(26)10-18(13)27/h3-11H,12H2,1-2H3,(H,31,32,35);2-10H,11H2,1H3,(H,31,32,35)
InChIKeyYJKRWCFZQFHMKM-UHFFFAOYSA-N
XLogP14.04
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.09
LogP ≤ 514.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide (CID 87661340) is 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)ccn1.Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(C)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?
The InChIKey is YJKRWCFZQFHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2F3N3O2.C24H15Cl3F3N3O2/c1-13-3-6-20-18(9-13)21(22(34)24(35)32-17-7-8-31-14(2)10-17)23(25(28,29)30)33(20)12-15-4-5-16(26)11-19(15)27;1-12-8-16(6-7-31-12)32-23(35)21(34)20-17-9-14(25)4-5-19(17)33(22(20)24(28,29)30)11-13-2-3-15(26)10-18(13)27/h3-11H,12H2,1-2H3,(H,31,32,35);2-10H,11H2,1H3,(H,31,32,35).
What are the key properties of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?
2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide has a molecular weight of 1061.09 g/mol, XLogP of 14.04, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 87661340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).