3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide

C12H15FN2O2 — CID 79031716

IUPAC3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC[C@H](O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O2/c13-11-5-8(12(14)17)1-2-9(11)6-15-4-3-10(16)7-15/h1-2,5,10,16H,3-4,6-7H2,(H2,14,17)/t10-/m0/s1
InChIKeyCCMFBIPKFYCEOJ-JTQLQIEISA-N
MW238.26 g/mol
LogP0.49
Rot. Bonds3

About 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide

3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide (PubChem CID 79031716) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
PubChem CID79031716
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC[C@H](O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O2/c13-11-5-8(12(14)17)1-2-9(11)6-15-4-3-10(16)7-15/h1-2,5,10,16H,3-4,6-7H2,(H2,14,17)/t10-/m0/s1
InChIKeyCCMFBIPKFYCEOJ-JTQLQIEISA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
CID 114681500
3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 55130589
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051
4-fluoro-3-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 107452258
3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 63769254
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
CID 61233906
3-fluoro-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 66261343
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 63531304

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide (CID 79031716) is 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CC[C@H](O)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide?
The InChIKey is CCMFBIPKFYCEOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-5-8(12(14)17)1-2-9(11)6-15-4-3-10(16)7-15/h1-2,5,10,16H,3-4,6-7H2,(H2,14,17)/t10-/m0/s1.
What are the key properties of 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide?
3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide has a molecular weight of 238.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 79031716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).