2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide

C11H14FN3O3 — CID 106673186

IUPAC2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide
SMILESNC(=O)c1cc(N2CC(O)C(O)C2)c(F)cc1N
InChIInChI=1S/C11H14FN3O3/c12-6-2-7(13)5(11(14)18)1-8(6)15-3-9(16)10(17)4-15/h1-2,9-10,16-17H,3-4,13H2,(H2,14,18)
InChIKeyYWUCCJUGLUVXAI-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.95
Rot. Bonds2

About 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide

2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide (PubChem CID 106673186) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide
PubChem CID106673186
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide
SMILESNC(=O)c1cc(N2CC(O)C(O)C2)c(F)cc1N
InChIInChI=1S/C11H14FN3O3/c12-6-2-7(13)5(11(14)18)1-8(6)15-3-9(16)10(17)4-15/h1-2,9-10,16-17H,3-4,13H2,(H2,14,18)
InChIKeyYWUCCJUGLUVXAI-UHFFFAOYSA-N
XLogP-0.95
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2-pyrrolidin-1-yl-benzamide
CID 652625
Benzamide, 2-((2,3-dihydroxypropyl)amino)-
CID 113599
(2-aminophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895164
[5-amino-2-(methylamino)phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 394360
[2-[2-(cyclohexen-1-yl)ethylamino]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 75436723
2-fluoro-6-[[(2R)-2-hydroxypropyl]amino]benzamide
CID 132315926
[5-Fluoro-2-(4-iodo-2-methylanilino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 22271513
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 57886536
(5-amino-2-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 57886641
2-Amino-4-fluoro-5-[2-hydroxyethyl(methyl)amino]benzamide
CID 61989240
2-Amino-5-(dimethylamino)-4-fluorobenzamide
CID 61989577
2-Amino-4-fluoro-5-[methyl(propyl)amino]benzamide
CID 61990152

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide?
The IUPAC name of 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide (CID 106673186) is 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide is NC(=O)c1cc(N2CC(O)C(O)C2)c(F)cc1N.
What is the InChIKey of 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide?
The InChIKey is YWUCCJUGLUVXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c12-6-2-7(13)5(11(14)18)1-8(6)15-3-9(16)10(17)4-15/h1-2,9-10,16-17H,3-4,13H2,(H2,14,18).
What are the key properties of 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide?
2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide has a molecular weight of 255.25 g/mol, XLogP of -0.95, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 106673186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).