(2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

C13H15F2N3O2 — CID 161025020

IUPAC(2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1C[C@@H](F)C[C@H]1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H15F2N3O2/c14-9-3-1-8(2-4-9)6-17-12(19)11-5-10(15)7-18(11)13(16)20/h1-4,10-11H,5-7H2,(H2,16,20)(H,17,19)/t10-,11-/m0/s1
InChIKeyTYWDZIIDVLTENU-QWRGUYRKSA-N
MW283.28 g/mol
LogP0.93
Rot. Bonds3

About (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

(2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 161025020) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID161025020
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name(2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1C[C@@H](F)C[C@H]1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H15F2N3O2/c14-9-3-1-8(2-4-9)6-17-12(19)11-5-10(15)7-18(11)13(16)20/h1-4,10-11H,5-7H2,(H2,16,20)(H,17,19)/t10-,11-/m0/s1
InChIKeyTYWDZIIDVLTENU-QWRGUYRKSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 161025020) is (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is NC(=O)N1C[C@@H](F)C[C@H]1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is TYWDZIIDVLTENU-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-9-3-1-8(2-4-9)6-17-12(19)11-5-10(15)7-18(11)13(16)20/h1-4,10-11H,5-7H2,(H2,16,20)(H,17,19)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
(2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 283.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 161025020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).