2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

C14H20ClFN2O — CID 119260587

IUPAC2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(F)cc1)NCCC1CCNC1
InChIInChI=1S/C14H19FN2O.ClH/c15-13-3-1-11(2-4-13)9-14(18)17-8-6-12-5-7-16-10-12;/h1-4,12,16H,5-10H2,(H,17,18);1H
InChIKeyRNTVDWXSMJDAOK-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.91
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119260587) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119260587
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(F)cc1)NCCC1CCNC1
InChIInChI=1S/C14H19FN2O.ClH/c15-13-3-1-11(2-4-13)9-14(18)17-8-6-12-5-7-16-10-12;/h1-4,12,16H,5-10H2,(H,17,18);1H
InChIKeyRNTVDWXSMJDAOK-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103
2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537007
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (CID 119260587) is 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(Cc1ccc(F)cc1)NCCC1CCNC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is RNTVDWXSMJDAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c15-13-3-1-11(2-4-13)9-14(18)17-8-6-12-5-7-16-10-12;/h1-4,12,16H,5-10H2,(H,17,18);1H.
What are the key properties of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119260587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).