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

C43H33Cl3F6N4O4 — CID 87661846

IUPAC2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)NC1CC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(NC1CC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H18ClF3N2O2.C21H15Cl2F3N2O2/c1-12-2-9-17-16(10-12)18(19(29)21(30)27-15-7-8-15)20(22(24,25)26)28(17)11-13-3-5-14(23)6-4-13;22-12-3-1-11(2-4-12)10-28-16-8-5-13(23)9-15(16)17(19(28)21(24,25)26)18(29)20(30)27-14-6-7-14/h2-6,9-10,15H,7-8,11H2,1H3,(H,27,30);1-5,8-9,14H,6-7,10H2,(H,27,30)
InChIKeyDGQZRPZDCWGKAJ-UHFFFAOYSA-N
MW890.11 g/mol
LogP10.61
Rot. Bonds10

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

2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 87661846) has the molecular formula C43H33Cl3F6N4O4 and a molecular weight of 890.11 g/mol. Its IUPAC name is 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide
PubChem CID87661846
Molecular FormulaC43H33Cl3F6N4O4
Molecular Weight890.11 g/mol
Exact Mass888.15
IUPAC Name2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)NC1CC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(NC1CC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H18ClF3N2O2.C21H15Cl2F3N2O2/c1-12-2-9-17-16(10-12)18(19(29)21(30)27-15-7-8-15)20(22(24,25)26)28(17)11-13-3-5-14(23)6-4-13;22-12-3-1-11(2-4-12)10-28-16-8-5-13(23)9-15(16)17(19(28)21(24,25)26)18(29)20(30)27-14-6-7-14/h2-6,9-10,15H,7-8,11H2,1H3,(H,27,30);1-5,8-9,14H,6-7,10H2,(H,27,30)
InChIKeyDGQZRPZDCWGKAJ-UHFFFAOYSA-N
XLogP10.61
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.11
LogP ≤ 510.61
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-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide (CID 87661846) is 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide is Cc1ccc2c(c1)c(C(=O)C(=O)NC1CC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1.O=C(NC1CC1)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-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is DGQZRPZDCWGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O2.C21H15Cl2F3N2O2/c1-12-2-9-17-16(10-12)18(19(29)21(30)27-15-7-8-15)20(22(24,25)26)28(17)11-13-3-5-14(23)6-4-13;22-12-3-1-11(2-4-12)10-28-16-8-5-13(23)9-15(16)17(19(28)21(24,25)26)18(29)20(30)27-14-6-7-14/h2-6,9-10,15H,7-8,11H2,1H3,(H,27,30);1-5,8-9,14H,6-7,10H2,(H,27,30).
What are the key properties of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide?
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 890.11 g/mol, XLogP of 10.61, 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-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 87661846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).