N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H23ClF3N3O3 — CID 25162005

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H23ClF3N3O3/c1-29(14-20(31)28-17-7-8-19(24)18(12-17)23(25,26)27)22(33)16-11-21(32)30(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13-14H2,1H3,(H,28,31)
InChIKeyPEPCWSWFGXJRAI-UHFFFAOYSA-N
MW481.90 g/mol
LogP3.85
Rot. Bonds7

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 25162005) has the molecular formula C23H23ClF3N3O3 and a molecular weight of 481.90 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID25162005
Molecular FormulaC23H23ClF3N3O3
Molecular Weight481.90 g/mol
Exact Mass481.14
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H23ClF3N3O3/c1-29(14-20(31)28-17-7-8-19(24)18(12-17)23(25,26)27)22(33)16-11-21(32)30(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13-14H2,1H3,(H,28,31)
InChIKeyPEPCWSWFGXJRAI-UHFFFAOYSA-N
XLogP3.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Isoquinolinecarboxamide,N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4,4a,7,8,8a-octahydro-1-oxo-2-(phenylmethyl)-,(4aR,8S,,8aR)-
CID 45256309
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-(1-piperidinyl)acetamide
CID 2200094
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-phenyl-prolinamide
CID 49864874
N-(3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2872768
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986000
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2100439
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxo-1-pyrrolidinyl)hexanamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide
CID 2507102
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2900783
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 2962726
N-{2-[benzyl(methyl)amino]ethyl}-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 25162005) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is PEPCWSWFGXJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3/c1-29(14-20(31)28-17-7-8-19(24)18(12-17)23(25,26)27)22(33)16-11-21(32)30(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13-14H2,1H3,(H,28,31).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 481.90 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 25162005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).