(2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide

C10H10BrFN2O3 — CID 120965422

IUPAC(2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccoc1Br
InChIInChI=1S/C10H10BrFN2O3/c11-8-6(1-2-17-8)10(16)14-4-5(12)3-7(14)9(13)15/h1-2,5,7H,3-4H2,(H2,13,15)/t5-,7+/m1/s1
InChIKeyULMGMUOWPPWOLK-VDTYLAMSSA-N
MW305.10 g/mol
LogP1.08
Rot. Bonds2

About (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965422) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965422
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name(2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccoc1Br
InChIInChI=1S/C10H10BrFN2O3/c11-8-6(1-2-17-8)10(16)14-4-5(12)3-7(14)9(13)15/h1-2,5,7H,3-4H2,(H2,13,15)/t5-,7+/m1/s1
InChIKeyULMGMUOWPPWOLK-VDTYLAMSSA-N
XLogP1.08
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide (CID 120965422) is (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccoc1Br.
What is the InChIKey of (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is ULMGMUOWPPWOLK-VDTYLAMSSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-8-6(1-2-17-8)10(16)14-4-5(12)3-7(14)9(13)15/h1-2,5,7H,3-4H2,(H2,13,15)/t5-,7+/m1/s1.
What are the key properties of (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 305.10 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-bromofuran-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).