2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C16H22ClFN4O2 — CID 119537575

IUPAC2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C16H21FN4O2.ClH/c17-14-2-1-12(21-8-7-20-16(21)23)9-13(14)15(22)19-6-4-11-3-5-18-10-11;/h1-2,9,11,18H,3-8,10H2,(H,19,22)(H,20,23);1H
InChIKeyVZARPXVAHCEBPT-UHFFFAOYSA-N
MW356.83 g/mol
LogP1.51
Rot. Bonds5

About 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119537575) has the molecular formula C16H22ClFN4O2 and a molecular weight of 356.83 g/mol. Its IUPAC name is 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119537575
Molecular FormulaC16H22ClFN4O2
Molecular Weight356.83 g/mol
Exact Mass356.14
IUPAC Name2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C16H21FN4O2.ClH/c17-14-2-1-12(21-8-7-20-16(21)23)9-13(14)15(22)19-6-4-11-3-5-18-10-11;/h1-2,9,11,18H,3-8,10H2,(H,19,22)(H,20,23);1H
InChIKeyVZARPXVAHCEBPT-UHFFFAOYSA-N
XLogP1.51
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2-fluoro-N-(3-methylpiperidin-4-yl)-5-(2-oxoimidazolidin-1-yl)benzamide
CID 120556656
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613896
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119459042
N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 167938598
4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229675
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119537575) is 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is VZARPXVAHCEBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2.ClH/c17-14-2-1-12(21-8-7-20-16(21)23)9-13(14)15(22)19-6-4-11-3-5-18-10-11;/h1-2,9,11,18H,3-8,10H2,(H,19,22)(H,20,23);1H.
What are the key properties of 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 356.83 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119537575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).