N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide

C13H15FN2O3 — CID 111798569

IUPACN-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1F)C(=O)N1CCC(CO)C1
InChIInChI=1S/C13H15FN2O3/c14-10-3-1-2-4-11(10)15-12(18)13(19)16-6-5-9(7-16)8-17/h1-4,9,17H,5-8H2,(H,15,18)
InChIKeyNETKAQKBFVXMPE-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.61
Rot. Bonds2

About N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide

N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 111798569) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
PubChem CID111798569
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1F)C(=O)N1CCC(CO)C1
InChIInChI=1S/C13H15FN2O3/c14-10-3-1-2-4-11(10)15-12(18)13(19)16-6-5-9(7-16)8-17/h1-4,9,17H,5-8H2,(H,15,18)
InChIKeyNETKAQKBFVXMPE-UHFFFAOYSA-N
XLogP0.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
CID 111798598
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798621
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
3-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-1-carboxamide
CID 111442897
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594
N-(5-bromo-2-fluorophenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443332
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide
CID 91660515

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide (CID 111798569) is N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide is O=C(Nc1ccccc1F)C(=O)N1CCC(CO)C1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is NETKAQKBFVXMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-3-1-2-4-11(10)15-12(18)13(19)16-6-5-9(7-16)8-17/h1-4,9,17H,5-8H2,(H,15,18).
What are the key properties of N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 266.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 111798569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).