1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

C12H12BrFN2O3 — CID 60954722

IUPAC1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN2O3/c13-6-1-2-8(9(14)3-6)12(19)16-5-7(17)4-10(16)11(15)18/h1-3,7,10,17H,4-5H2,(H2,15,18)
InChIKeyBJAZJFNABTUJOG-UHFFFAOYSA-N
MW331.14 g/mol
LogP0.65
Rot. Bonds2

About 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 60954722) has the molecular formula C12H12BrFN2O3 and a molecular weight of 331.14 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID60954722
Molecular FormulaC12H12BrFN2O3
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN2O3/c13-6-1-2-8(9(14)3-6)12(19)16-5-7(17)4-10(16)11(15)18/h1-3,7,10,17H,4-5H2,(H2,15,18)
InChIKeyBJAZJFNABTUJOG-UHFFFAOYSA-N
XLogP0.65
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60954721
1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60959099
1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43805416
(2S,4R)-1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63856209
1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 62680969
methyl 1-(2,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970979
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089
(2R,4R)-1-(2-fluoro-4-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000643
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
(4-bromo-2-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985553
(5-bromo-2-fluorophenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056634

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (CID 60954722) is 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is BJAZJFNABTUJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O3/c13-6-1-2-8(9(14)3-6)12(19)16-5-7(17)4-10(16)11(15)18/h1-3,7,10,17H,4-5H2,(H2,15,18).
What are the key properties of 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 331.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 60954722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).