(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide

C20H21ClFN3O2 — CID 25233580

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H21ClFN3O2/c1-24(13-14-4-6-15(21)7-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-8-16(22)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyJGPSKQYQDKIFGV-GOSISDBHSA-N
MW389.86 g/mol
LogP4.13
Rot. Bonds4

About (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide

(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 25233580) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID25233580
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H21ClFN3O2/c1-24(13-14-4-6-15(21)7-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-8-16(22)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyJGPSKQYQDKIFGV-GOSISDBHSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 25233580) is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide is CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is JGPSKQYQDKIFGV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c1-24(13-14-4-6-15(21)7-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-8-16(22)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 389.86 g/mol, XLogP of 4.13, 4 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-(4-fluorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25233580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).