1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide

C11H13FN2O2 — CID 86258443

IUPAC1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(F)c(O)c1
InChIInChI=1S/C11H13FN2O2/c12-8-4-3-7(6-10(8)15)14-5-1-2-9(14)11(13)16/h3-4,6,9,15H,1-2,5H2,(H2,13,16)
InChIKeyQVHHLEGOQDCGGO-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.99
Rot. Bonds2

About 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide

1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 86258443) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
PubChem CID86258443
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(F)c(O)c1
InChIInChI=1S/C11H13FN2O2/c12-8-4-3-7(6-10(8)15)14-5-1-2-9(14)11(13)16/h3-4,6,9,15H,1-2,5H2,(H2,13,16)
InChIKeyQVHHLEGOQDCGGO-UHFFFAOYSA-N
XLogP0.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 79603236
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-(4-cyano-3-methylphenyl)pyrrolidine-2-carboxamide
CID 81281732
1-(6-amino-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43212069
1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 55156459
1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
CID 142766812
1-(4-carbamothioyl-2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 81285997
1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 62135010

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide (CID 86258443) is 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccc(F)c(O)c1.
What is the InChIKey of 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QVHHLEGOQDCGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-4-3-7(6-10(8)15)14-5-1-2-9(14)11(13)16/h3-4,6,9,15H,1-2,5H2,(H2,13,16).
What are the key properties of 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide?
1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 224.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86258443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).