2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C12H16ClFN2O — CID 119451435

IUPAC2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(F)c(C(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-8-2-3-11(13)10(6-8)12(16)15-9-4-5-14-7-9;/h2-3,6,9,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyQHYCYGNZVDCELL-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.65
Rot. Bonds2

About 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119451435) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119451435
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(F)c(C(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-8-2-3-11(13)10(6-8)12(16)15-9-4-5-14-7-9;/h2-3,6,9,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyQHYCYGNZVDCELL-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119451435) is 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccc(F)c(C(=O)NC2CCNC2)c1.Cl.
What is the InChIKey of 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is QHYCYGNZVDCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c1-8-2-3-11(13)10(6-8)12(16)15-9-4-5-14-7-9;/h2-3,6,9,14H,4-5,7H2,1H3,(H,15,16);1H.
What are the key properties of 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119451435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).