3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide

C20H23FN2O2 — CID 111334766

IUPAC3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
SMILESCC(O)(CNC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-20(25,16-7-3-2-4-8-16)14-22-19(24)15-9-10-18(17(21)13-15)23-11-5-6-12-23/h2-4,7-10,13,25H,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyXPOMCRBDSSQWHR-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.06
Rot. Bonds5

About 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide

3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide (PubChem CID 111334766) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
PubChem CID111334766
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
SMILESCC(O)(CNC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-20(25,16-7-3-2-4-8-16)14-22-19(24)15-9-10-18(17(21)13-15)23-11-5-6-12-23/h2-4,7-10,13,25H,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyXPOMCRBDSSQWHR-UHFFFAOYSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
1-[3-fluoro-4-[4-[(2S)-2-hydroxy-2-phenylpropyl]piperazin-1-yl]phenyl]ethanone
CID 52518090
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 90935627

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide (CID 111334766) is 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide is CC(O)(CNC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide?
The InChIKey is XPOMCRBDSSQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-20(25,16-7-3-2-4-8-16)14-22-19(24)15-9-10-18(17(21)13-15)23-11-5-6-12-23/h2-4,7-10,13,25H,5-6,11-12,14H2,1H3,(H,22,24).
What are the key properties of 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide?
3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide has a molecular weight of 342.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 111334766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).