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

C48H41Cl5F6N4O4 — CID 87687326

IUPAC2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.O=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C24H20Cl3F3N2O2.C24H21Cl2F3N2O2/c25-14-8-9-19-17(10-14)20(21(33)23(34)31-16-4-2-1-3-5-16)22(24(28,29)30)32(19)12-13-6-7-15(26)11-18(13)27;25-15-11-10-14(18(26)12-15)13-31-19-9-5-4-8-17(19)20(22(31)24(27,28)29)21(32)23(33)30-16-6-2-1-3-7-16/h6-11,16H,1-5,12H2,(H,31,34);4-5,8-12,16H,1-3,6-7,13H2,(H,30,33)
InChIKeyLQXHTEBLVICYLJ-UHFFFAOYSA-N
MW1029.13 g/mol
LogP13.95
Rot. Bonds10

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

2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 87687326) has the molecular formula C48H41Cl5F6N4O4 and a molecular weight of 1029.13 g/mol. Its IUPAC name is 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
PubChem CID87687326
Molecular FormulaC48H41Cl5F6N4O4
Molecular Weight1029.13 g/mol
Exact Mass1026.15
IUPAC Name2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.O=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C24H20Cl3F3N2O2.C24H21Cl2F3N2O2/c25-14-8-9-19-17(10-14)20(21(33)23(34)31-16-4-2-1-3-5-16)22(24(28,29)30)32(19)12-13-6-7-15(26)11-18(13)27;25-15-11-10-14(18(26)12-15)13-31-19-9-5-4-8-17(19)20(22(31)24(27,28)29)21(32)23(33)30-16-6-2-1-3-7-16/h6-11,16H,1-5,12H2,(H,31,34);4-5,8-12,16H,1-3,6-7,13H2,(H,30,33)
InChIKeyLQXHTEBLVICYLJ-UHFFFAOYSA-N
XLogP13.95
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.13
LogP ≤ 513.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

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CID 68470058
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CID 68470220
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CID 68470414
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CID 68471451

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide (CID 87687326) is 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide is O=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.O=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is LQXHTEBLVICYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3F3N2O2.C24H21Cl2F3N2O2/c25-14-8-9-19-17(10-14)20(21(33)23(34)31-16-4-2-1-3-5-16)22(24(28,29)30)32(19)12-13-6-7-15(26)11-18(13)27;25-15-11-10-14(18(26)12-15)13-31-19-9-5-4-8-17(19)20(22(31)24(27,28)29)21(32)23(33)30-16-6-2-1-3-7-16/h6-11,16H,1-5,12H2,(H,31,34);4-5,8-12,16H,1-3,6-7,13H2,(H,30,33).
What are the key properties of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 1029.13 g/mol, XLogP of 13.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 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-cyclohexyl-2-oxoacetamide;N-cyclohexyl-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 87687326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).