N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide

C13H15FN2O4 — CID 106671856

IUPACN-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(NCC(=O)N1CC(O)C(O)C1)c1ccccc1F
InChIInChI=1S/C13H15FN2O4/c14-9-4-2-1-3-8(9)13(20)15-5-12(19)16-6-10(17)11(18)7-16/h1-4,10-11,17-18H,5-7H2,(H,15,20)
InChIKeyCLDDYWWTKMATFD-UHFFFAOYSA-N
MW282.27 g/mol
LogP-0.88
Rot. Bonds3

About N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide

N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 106671856) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
PubChem CID106671856
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC NameN-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(NCC(=O)N1CC(O)C(O)C1)c1ccccc1F
InChIInChI=1S/C13H15FN2O4/c14-9-4-2-1-3-8(9)13(20)15-5-12(19)16-6-10(17)11(18)7-16/h1-4,10-11,17-18H,5-7H2,(H,15,20)
InChIKeyCLDDYWWTKMATFD-UHFFFAOYSA-N
XLogP-0.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 103901184
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
2-fluoro-N-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 47018605
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-fluorophenyl)sulfanylethanone
CID 106671689
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 17451155
2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 43421664
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide (CID 106671856) is N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide is O=C(NCC(=O)N1CC(O)C(O)C1)c1ccccc1F.
What is the InChIKey of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is CLDDYWWTKMATFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-9-4-2-1-3-8(9)13(20)15-5-12(19)16-6-10(17)11(18)7-16/h1-4,10-11,17-18H,5-7H2,(H,15,20).
What are the key properties of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 282.27 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 106671856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).