4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide

C19H21FN2O2 — CID 129350434

IUPAC4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-21-19(24)15-4-2-13(3-5-15)11-22-12-17(23)10-18(22)14-6-8-16(20)9-7-14/h2-9,17-18,23H,10-12H2,1H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyFSNUBTJXABDLBL-ROUUACIJSA-N
MW328.39 g/mol
LogP2.49
Rot. Bonds4

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

4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide (PubChem CID 129350434) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide
PubChem CID129350434
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-21-19(24)15-4-2-13(3-5-15)11-22-12-17(23)10-18(22)14-6-8-16(20)9-7-14/h2-9,17-18,23H,10-12H2,1H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyFSNUBTJXABDLBL-ROUUACIJSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
CID 129351038
3-[[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129446978
(3S,5S)-5-(4-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129350956
4-[[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 129350585
4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 128975885
1-(4-acetylpiperazin-1-yl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 129346514
(3R,5S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129349132
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 129349173
N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 129350369
(3S,5R)-5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129349792
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 129350156

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide (CID 129350434) is 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide?
The InChIKey is FSNUBTJXABDLBL-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-21-19(24)15-4-2-13(3-5-15)11-22-12-17(23)10-18(22)14-6-8-16(20)9-7-14/h2-9,17-18,23H,10-12H2,1H3,(H,21,24)/t17-,18-/m0/s1.
What are the key properties of 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide?
4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 129350434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).