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

C20H21ClFN3O2 — CID 25231480

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

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

(2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 25231480) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID25231480
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name(2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFN3O2/c1-24(13-14-4-8-16(22)9-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-6-15(21)7-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyXHEVWFBOOGHGSO-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

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

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Related Compounds

US10676431, Example 25
CID 139450967
R-6890 (spirochlorphine)
CID 14783734
US10676431, Example 132
CID 139454913
US10676431, Example 70
CID 139454921
3-(4-Chloro-phenyl)-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 1448368
(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
2-{[(2-chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645837
3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768122
N-4-Fluorophenylureido-N-2-chlorobenzyl-L-alanine
CID 23645821
(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
CID 139267758
(2R,4R)-N1-(4-Chlorophenyl)-N2-(2-fluoro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide
CID 44582204
(2R,4R)-N1-(4-Chlorophenyl)-4-ethyl-N2-(2-fluoro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 44582206

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 25231480) is (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XHEVWFBOOGHGSO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c1-24(13-14-4-8-16(22)9-5-14)19(26)18-3-2-12-25(18)20(27)23-17-10-6-15(21)7-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-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)-1-N-(4-chlorophenyl)-2-N-[(4-fluorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25231480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).