2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

C14H19ClF2N2O — CID 119537007

IUPAC2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(F)c1F)NCCC1CCNC1
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-3-1-2-11(14(12)16)8-13(19)18-7-5-10-4-6-17-9-10;/h1-3,10,17H,4-9H2,(H,18,19);1H
InChIKeyHQVSJLSIDLDDAD-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.04
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119537007) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119537007
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(F)c1F)NCCC1CCNC1
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-3-1-2-11(14(12)16)8-13(19)18-7-5-10-4-6-17-9-10;/h1-3,10,17H,4-9H2,(H,18,19);1H
InChIKeyHQVSJLSIDLDDAD-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535561
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
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-hydroxyphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 80740941

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (CID 119537007) is 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(Cc1cccc(F)c1F)NCCC1CCNC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is HQVSJLSIDLDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c15-12-3-1-2-11(14(12)16)8-13(19)18-7-5-10-4-6-17-9-10;/h1-3,10,17H,4-9H2,(H,18,19);1H.
What are the key properties of 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119537007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).