2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride

C9H18ClFN2O2 — CID 136575931

IUPAC2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
SMILESCOC1CNCC1NC(=O)C(C)(C)F.Cl
InChIInChI=1S/C9H17FN2O2.ClH/c1-9(2,10)8(13)12-6-4-11-5-7(6)14-3;/h6-7,11H,4-5H2,1-3H3,(H,12,13);1H
InChIKeyHSQLLVZSJCNYCW-UHFFFAOYSA-N
MW240.71 g/mol
LogP0.26
Rot. Bonds3

About 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride

2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride (PubChem CID 136575931) has the molecular formula C9H18ClFN2O2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
PubChem CID136575931
Molecular FormulaC9H18ClFN2O2
Molecular Weight240.71 g/mol
Exact Mass240.10
IUPAC Name2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
SMILESCOC1CNCC1NC(=O)C(C)(C)F.Cl
InChIInChI=1S/C9H17FN2O2.ClH/c1-9(2,10)8(13)12-6-4-11-5-7(6)14-3;/h6-7,11H,4-5H2,1-3H3,(H,12,13);1H
InChIKeyHSQLLVZSJCNYCW-UHFFFAOYSA-N
XLogP0.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 74883319
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525
2-(3-fluorophenyl)-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide
CID 136575977
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
N-[(4S)-4-methoxypyrrolidin-3-yl]prop-2-ynamide
CID 43594076
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
CID 74884463
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 122561321
2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
CID 74883365
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
N-[(4S)-4-methoxypyrrolidin-3-yl]but-3-enamide
CID 62680070

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride (CID 136575931) is 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride is COC1CNCC1NC(=O)C(C)(C)F.Cl.
What is the InChIKey of 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride?
The InChIKey is HSQLLVZSJCNYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2.ClH/c1-9(2,10)8(13)12-6-4-11-5-7(6)14-3;/h6-7,11H,4-5H2,1-3H3,(H,12,13);1H.
What are the key properties of 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride?
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride has a molecular weight of 240.71 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 136575931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).