N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide

C13H18FN3O3 — CID 106668074

IUPACN-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1N)N1CC(O)C(O)C1
InChIInChI=1S/C13H18FN3O3/c1-7(17-5-11(18)12(19)6-17)13(20)16-10-3-2-8(14)4-9(10)15/h2-4,7,11-12,18-19H,5-6,15H2,1H3,(H,16,20)
InChIKeyJDKFIFLNJPYLGE-UHFFFAOYSA-N
MW283.30 g/mol
LogP-0.23
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide

N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide (PubChem CID 106668074) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
PubChem CID106668074
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1N)N1CC(O)C(O)C1
InChIInChI=1S/C13H18FN3O3/c1-7(17-5-11(18)12(19)6-17)13(20)16-10-3-2-8(14)4-9(10)15/h2-4,7,11-12,18-19H,5-6,15H2,1H3,(H,16,20)
InChIKeyJDKFIFLNJPYLGE-UHFFFAOYSA-N
XLogP-0.23
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide (CID 106668074) is N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide is CC(C(=O)Nc1ccc(F)cc1N)N1CC(O)C(O)C1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
The InChIKey is JDKFIFLNJPYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-7(17-5-11(18)12(19)6-17)13(20)16-10-3-2-8(14)4-9(10)15/h2-4,7,11-12,18-19H,5-6,15H2,1H3,(H,16,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide?
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide has a molecular weight of 283.30 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 106668074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).