(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C24H27ClF3N3O2 — CID 143615079

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCCc1ccc(C(F)(F)F)cc1CNC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H27ClF3N3O2/c1-3-17-8-9-19(24(26,27)28)13-18(17)14-29-23(33)31-12-4-5-21(31)22(32)30(2)15-16-6-10-20(25)11-7-16/h6-11,13,21H,3-5,12,14-15H2,1-2H3,(H,29,33)/t21-/m1/s1
InChIKeyNORJUJOLEIOZBE-OAQYLSRUSA-N
MW481.95 g/mol
LogP5.25
Rot. Bonds6

About (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 143615079) has the molecular formula C24H27ClF3N3O2 and a molecular weight of 481.95 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID143615079
Molecular FormulaC24H27ClF3N3O2
Molecular Weight481.95 g/mol
Exact Mass481.17
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCCc1ccc(C(F)(F)F)cc1CNC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H27ClF3N3O2/c1-3-17-8-9-19(24(26,27)28)13-18(17)14-29-23(33)31-12-4-5-21(31)22(32)30(2)15-16-6-10-20(25)11-7-16/h6-11,13,21H,3-5,12,14-15H2,1-2H3,(H,29,33)/t21-/m1/s1
InChIKeyNORJUJOLEIOZBE-OAQYLSRUSA-N
XLogP5.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.95
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(3-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 143615289
(2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71134588
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
CID 25233758
1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71131532
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide
CID 71131547
N-[(4-chlorophenyl)methyl]-N-methylacetamide;2-methyl-N-[2-(methylsulfanylmethyl)-4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 143615291
(2R)-1-N-(6-chloro-2-methyl-3-pyridinyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 89303525
2-N-[(4-chlorophenyl)methyl]-1-N-(8-fluoro-3,4-dihydro-1H-isochromen-4-yl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615170
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol
CID 143615109
1-N-[(1-acetyl-3,4-dihydro-2H-quinolin-2-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615196
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 143615138
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 143615079) is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CCc1ccc(C(F)(F)F)cc1CNC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is NORJUJOLEIOZBE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27ClF3N3O2/c1-3-17-8-9-19(24(26,27)28)13-18(17)14-29-23(33)31-12-4-5-21(31)22(32)30(2)15-16-6-10-20(25)11-7-16/h6-11,13,21H,3-5,12,14-15H2,1-2H3,(H,29,33)/t21-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 481.95 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 143615079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).