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

C22H20Cl2F6N2O — CID 87158529

IUPACN-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C22H20Cl2F6N2O/c1-2-19(33)31-11-13-3-4-17(10-18(13)21(25,26)27)32-6-5-20(12-32,22(28,29)30)14-7-15(23)9-16(24)8-14/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,31,33)
InChIKeyFXMZTXJBDBHSNZ-UHFFFAOYSA-N
MW513.31 g/mol
LogP6.75
Rot. Bonds5

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

N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 87158529) has the molecular formula C22H20Cl2F6N2O and a molecular weight of 513.31 g/mol. Its IUPAC name is N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID87158529
Molecular FormulaC22H20Cl2F6N2O
Molecular Weight513.31 g/mol
Exact Mass512.09
IUPAC NameN-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C22H20Cl2F6N2O/c1-2-19(33)31-11-13-3-4-17(10-18(13)21(25,26)27)32-6-5-20(12-32,22(28,29)30)14-7-15(23)9-16(24)8-14/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,31,33)
InChIKeyFXMZTXJBDBHSNZ-UHFFFAOYSA-N
XLogP6.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.31
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide 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-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide (CID 87158529) is N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide is CCC(=O)NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is FXMZTXJBDBHSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F6N2O/c1-2-19(33)31-11-13-3-4-17(10-18(13)21(25,26)27)32-6-5-20(12-32,22(28,29)30)14-7-15(23)9-16(24)8-14/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,31,33).
What are the key properties of N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 513.31 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 87158529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).