(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide

C23H26ClF3N4O2 — CID 71131547

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide
SMILESCC[C@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H26ClF3N4O2/c1-3-18(16-8-11-20(28-13-16)23(25,26)27)29-22(33)31-12-4-5-19(31)21(32)30(2)14-15-6-9-17(24)10-7-15/h6-11,13,18-19H,3-5,12,14H2,1-2H3,(H,29,33)/t18-,19+/m0/s1
InChIKeySNHIPPQWBYQBCT-RBUKOAKNSA-N
MW482.93 g/mol
LogP5.04
Rot. Bonds6

About (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 71131547) has the molecular formula C23H26ClF3N4O2 and a molecular weight of 482.93 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide
PubChem CID71131547
Molecular FormulaC23H26ClF3N4O2
Molecular Weight482.93 g/mol
Exact Mass482.17
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide
SMILESCC[C@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H26ClF3N4O2/c1-3-18(16-8-11-20(28-13-16)23(25,26)27)29-22(33)31-12-4-5-19(31)21(32)30(2)14-15-6-9-17(24)10-7-15/h6-11,13,18-19H,3-5,12,14H2,1-2H3,(H,29,33)/t18-,19+/m0/s1
InChIKeySNHIPPQWBYQBCT-RBUKOAKNSA-N
XLogP5.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.93
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide (CID 71131547) is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide is CC[C@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is SNHIPPQWBYQBCT-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H26ClF3N4O2/c1-3-18(16-8-11-20(28-13-16)23(25,26)27)29-22(33)31-12-4-5-19(31)21(32)30(2)14-15-6-9-17(24)10-7-15/h6-11,13,18-19H,3-5,12,14H2,1-2H3,(H,29,33)/t18-,19+/m0/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 482.93 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71131547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).