2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C15H22ClFN2O — CID 119512158

IUPAC2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)(C(=O)NCC1CCCN1)c1ccccc1F.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-15(2,12-7-3-4-8-13(12)16)14(19)18-10-11-6-5-9-17-11;/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,18,19);1H
InChIKeyZOFVNLKUYFIFGI-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.39
Rot. Bonds4

About 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119512158) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119512158
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)(C(=O)NCC1CCCN1)c1ccccc1F.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-15(2,12-7-3-4-8-13(12)16)14(19)18-10-11-6-5-9-17-11;/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,18,19);1H
InChIKeyZOFVNLKUYFIFGI-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511132
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510877
2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514832
3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514786
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110921286
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
2-[2-(2-fluorophenyl)propan-2-yl]pyrrolidine
CID 83909049

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119512158) is 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is CC(C)(C(=O)NCC1CCCN1)c1ccccc1F.Cl.
What is the InChIKey of 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is ZOFVNLKUYFIFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c1-15(2,12-7-3-4-8-13(12)16)14(19)18-10-11-6-5-9-17-11;/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 300.80 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119512158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).