1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide

C12H15FN2O2 — CID 114065236

IUPAC1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cccc(F)c1CO
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-4-10(8(9)7-16)15-6-2-5-11(15)12(14)17/h1,3-4,11,16H,2,5-7H2,(H2,14,17)
InChIKeyWXGJPUABPOELKQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.77
Rot. Bonds3

About 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide

1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 114065236) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID114065236
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cccc(F)c1CO
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-4-10(8(9)7-16)15-6-2-5-11(15)12(14)17/h1,3-4,11,16H,2,5-7H2,(H2,14,17)
InChIKeyWXGJPUABPOELKQ-UHFFFAOYSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide (CID 114065236) is 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1cccc(F)c1CO.
What is the InChIKey of 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WXGJPUABPOELKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-3-1-4-10(8(9)7-16)15-6-2-5-11(15)12(14)17/h1,3-4,11,16H,2,5-7H2,(H2,14,17).
What are the key properties of 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide?
1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 114065236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).