2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide

C47H41Cl3F6N4O4 — CID 87662878

IUPAC2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)NC1CCCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(NC1CCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C24H22ClF3N2O2.C23H19Cl2F3N2O2/c1-14-6-11-19-18(12-14)20(21(31)23(32)29-17-4-2-3-5-17)22(24(26,27)28)30(19)13-15-7-9-16(25)10-8-15;24-14-7-5-13(6-8-14)12-30-18-10-9-15(25)11-17(18)19(21(30)23(26,27)28)20(31)22(32)29-16-3-1-2-4-16/h6-12,17H,2-5,13H2,1H3,(H,29,32);5-11,16H,1-4,12H2,(H,29,32)
InChIKeyNDQPDJYKHXBEGL-UHFFFAOYSA-N
MW946.22 g/mol
LogP12.17
Rot. Bonds10

About 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide

2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide (PubChem CID 87662878) has the molecular formula C47H41Cl3F6N4O4 and a molecular weight of 946.22 g/mol. Its IUPAC name is 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide
PubChem CID87662878
Molecular FormulaC47H41Cl3F6N4O4
Molecular Weight946.22 g/mol
Exact Mass944.21
IUPAC Name2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)NC1CCCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(NC1CCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C24H22ClF3N2O2.C23H19Cl2F3N2O2/c1-14-6-11-19-18(12-14)20(21(31)23(32)29-17-4-2-3-5-17)22(24(26,27)28)30(19)13-15-7-9-16(25)10-8-15;24-14-7-5-13(6-8-14)12-30-18-10-9-15(25)11-17(18)19(21(30)23(26,27)28)20(31)22(32)29-16-3-1-2-4-16/h6-12,17H,2-5,13H2,1H3,(H,29,32);5-11,16H,1-4,12H2,(H,29,32)
InChIKeyNDQPDJYKHXBEGL-UHFFFAOYSA-N
XLogP12.17
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.22
LogP ≤ 512.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide?
The IUPAC name of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide (CID 87662878) is 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide?
The canonical SMILES for 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide is Cc1ccc2c(c1)c(C(=O)C(=O)NC1CCCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(NC1CCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide?
The InChIKey is NDQPDJYKHXBEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O2.C23H19Cl2F3N2O2/c1-14-6-11-19-18(12-14)20(21(31)23(32)29-17-4-2-3-5-17)22(24(26,27)28)30(19)13-15-7-9-16(25)10-8-15;24-14-7-5-13(6-8-14)12-30-18-10-9-15(25)11-17(18)19(21(30)23(26,27)28)20(31)22(32)29-16-3-1-2-4-16/h6-12,17H,2-5,13H2,1H3,(H,29,32);5-11,16H,1-4,12H2,(H,29,32).
What are the key properties of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide?
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide has a molecular weight of 946.22 g/mol, XLogP of 12.17, 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-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopentyl-2-oxoacetamide is sourced from PubChem (CID 87662878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).