2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C13H17ClF2N2O — CID 119536472

IUPAC2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O.ClH/c14-10-1-2-11(12(15)7-10)13(18)17-6-4-9-3-5-16-8-9;/h1-2,7,9,16H,3-6,8H2,(H,17,18);1H
InChIKeyLUPUMUASMUPCRG-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.12
Rot. Bonds4

About 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119536472) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119536472
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O.ClH/c14-10-1-2-11(12(15)7-10)13(18)17-6-4-9-3-5-16-8-9;/h1-2,7,9,16H,3-6,8H2,(H,17,18);1H
InChIKeyLUPUMUASMUPCRG-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
CID 103806776
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119536472) is 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is LUPUMUASMUPCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c14-10-1-2-11(12(15)7-10)13(18)17-6-4-9-3-5-16-8-9;/h1-2,7,9,16H,3-6,8H2,(H,17,18);1H.
What are the key properties of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119536472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).