5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide

C15H12BrFN2O3 — CID 43971201

IUPAC5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrFN2O3/c16-13-6-5-12(22-13)15(21)18-10-7-14(20)19(8-10)11-3-1-9(17)2-4-11/h1-6,10H,7-8H2,(H,18,21)
InChIKeyUTJOUVJXXMXDTR-UHFFFAOYSA-N
MW367.17 g/mol
LogP2.72
Rot. Bonds3

About 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide

5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 43971201) has the molecular formula C15H12BrFN2O3 and a molecular weight of 367.17 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
PubChem CID43971201
Molecular FormulaC15H12BrFN2O3
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrFN2O3/c16-13-6-5-12(22-13)15(21)18-10-7-14(20)19(8-10)11-3-1-9(17)2-4-11/h1-6,10H,7-8H2,(H,18,21)
InChIKeyUTJOUVJXXMXDTR-UHFFFAOYSA-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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Related Compounds

5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 7255415
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 95969243
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide (CID 43971201) is 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide is O=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is UTJOUVJXXMXDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O3/c16-13-6-5-12(22-13)15(21)18-10-7-14(20)19(8-10)11-3-1-9(17)2-4-11/h1-6,10H,7-8H2,(H,18,21).
What are the key properties of 5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
5-bromo-N-[1-(4-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-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 43971201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).