5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide

C15H12BrFN2O3 — CID 7255415

IUPAC5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrFN2O3/c16-13-5-4-12(22-13)15(21)18-10-7-14(20)19(8-10)11-3-1-2-9(17)6-11/h1-6,10H,7-8H2,(H,18,21)/t10-/m0/s1
InChIKeyDZBCWLLLGUTRSC-JTQLQIEISA-N
MW367.17 g/mol
LogP2.72
Rot. Bonds3

About 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide

5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 7255415) has the molecular formula C15H12BrFN2O3 and a molecular weight of 367.17 g/mol. Its IUPAC name is 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
PubChem CID7255415
Molecular FormulaC15H12BrFN2O3
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrFN2O3/c16-13-5-4-12(22-13)15(21)18-10-7-14(20)19(8-10)11-3-1-2-9(17)6-11/h1-6,10H,7-8H2,(H,18,21)/t10-/m0/s1
InChIKeyDZBCWLLLGUTRSC-JTQLQIEISA-N
XLogP2.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide (CID 7255415) is 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide is O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is DZBCWLLLGUTRSC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H12BrFN2O3/c16-13-5-4-12(22-13)15(21)18-10-7-14(20)19(8-10)11-3-1-2-9(17)6-11/h1-6,10H,7-8H2,(H,18,21)/t10-/m0/s1.
What are the key properties of 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 367.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 7255415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).