3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide

C20H23FN2O2 — CID 129446978

IUPAC3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-22(2)20(25)16-5-3-4-14(10-16)12-23-13-18(24)11-19(23)15-6-8-17(21)9-7-15/h3-10,18-19,24H,11-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyFCNYUWKHHWZDEQ-RBUKOAKNSA-N
MW342.41 g/mol
LogP2.84
Rot. Bonds4

About 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide

3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 129446978) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID129446978
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-22(2)20(25)16-5-3-4-14(10-16)12-23-13-18(24)11-19(23)15-6-8-17(21)9-7-15/h3-10,18-19,24H,11-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyFCNYUWKHHWZDEQ-RBUKOAKNSA-N
XLogP2.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129480696
4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide
CID 129350434
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 100652807
(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
CID 129351038
2-[3-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 129352148
(3S,5S)-5-(4-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129350956
(3S,5R)-1-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129350845
5-[[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 129350963
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242
3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 55989879
(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 100698925
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129480751

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide (CID 129446978) is 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is FCNYUWKHHWZDEQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-22(2)20(25)16-5-3-4-14(10-16)12-23-13-18(24)11-19(23)15-6-8-17(21)9-7-15/h3-10,18-19,24H,11-13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 342.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 129446978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).