5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride

C13H18ClFN2O2 — CID 120946846

IUPAC5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(F)cc1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C13H17FN2O2.ClH/c1-8-2-3-10(14)4-11(8)13(18)16-6-9-5-15-7-12(9)17;/h2-4,9,12,15,17H,5-7H2,1H3,(H,16,18);1H
InChIKeyWEMOJJYNSFXBAF-UHFFFAOYSA-N
MW288.75 g/mol
LogP0.87
Rot. Bonds3

About 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride

5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride (PubChem CID 120946846) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
PubChem CID120946846
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(F)cc1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C13H17FN2O2.ClH/c1-8-2-3-10(14)4-11(8)13(18)16-6-9-5-15-7-12(9)17;/h2-4,9,12,15,17H,5-7H2,1H3,(H,16,18);1H
InChIKeyWEMOJJYNSFXBAF-UHFFFAOYSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 120945406
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 120943802
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride (CID 120946846) is 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride is Cc1ccc(F)cc1C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride?
The InChIKey is WEMOJJYNSFXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2.ClH/c1-8-2-3-10(14)4-11(8)13(18)16-6-9-5-15-7-12(9)17;/h2-4,9,12,15,17H,5-7H2,1H3,(H,16,18);1H.
What are the key properties of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride?
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride has a molecular weight of 288.75 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120946846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).