N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide

C20H18Cl3F3N2O — CID 86652388

IUPACN-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C20H18Cl3F3N2O/c1-12(29)27-10-13-2-3-17(9-18(13)23)28-5-4-19(11-28,20(24,25)26)14-6-15(21)8-16(22)7-14/h2-3,6-9H,4-5,10-11H2,1H3,(H,27,29)
InChIKeyCWKFSMOKAIQKQU-UHFFFAOYSA-N
MW465.73 g/mol
LogP5.99
Rot. Bonds4

About N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide

N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide (PubChem CID 86652388) has the molecular formula C20H18Cl3F3N2O and a molecular weight of 465.73 g/mol. Its IUPAC name is N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide
PubChem CID86652388
Molecular FormulaC20H18Cl3F3N2O
Molecular Weight465.73 g/mol
Exact Mass464.04
IUPAC NameN-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C20H18Cl3F3N2O/c1-12(29)27-10-13-2-3-17(9-18(13)23)28-5-4-19(11-28,20(24,25)26)14-6-15(21)8-16(22)7-14/h2-3,6-9H,4-5,10-11H2,1H3,(H,27,29)
InChIKeyCWKFSMOKAIQKQU-UHFFFAOYSA-N
XLogP5.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.73
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide 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 N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide (CID 86652388) is N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide?
The InChIKey is CWKFSMOKAIQKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3F3N2O/c1-12(29)27-10-13-2-3-17(9-18(13)23)28-5-4-19(11-28,20(24,25)26)14-6-15(21)8-16(22)7-14/h2-3,6-9H,4-5,10-11H2,1H3,(H,27,29).
What are the key properties of N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide?
N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide has a molecular weight of 465.73 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 86652388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).