N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C17H22ClFN4O2 — CID 119459042

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H21FN4O2.ClH/c18-15-4-3-13(22-6-5-19-17(22)24)9-14(15)16(23)21-12-7-10-1-2-11(8-12)20-10;/h3-4,9-12,20H,1-2,5-8H2,(H,19,24)(H,21,23);1H
InChIKeyQOTUCRQOBBTQNT-UHFFFAOYSA-N
MW368.84 g/mol
LogP1.79
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119459042) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119459042
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H21FN4O2.ClH/c18-15-4-3-13(22-6-5-19-17(22)24)9-14(15)16(23)21-12-7-10-1-2-11(8-12)20-10;/h3-4,9-12,20H,1-2,5-8H2,(H,19,24)(H,21,23);1H
InChIKeyQOTUCRQOBBTQNT-UHFFFAOYSA-N
XLogP1.79
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229675
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 71921793
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
2-fluoro-N-(3-methylpiperidin-4-yl)-5-(2-oxoimidazolidin-1-yl)benzamide
CID 120556656
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119459683
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
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-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119456066
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119459042) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is QOTUCRQOBBTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2.ClH/c18-15-4-3-13(22-6-5-19-17(22)24)9-14(15)16(23)21-12-7-10-1-2-11(8-12)20-10;/h3-4,9-12,20H,1-2,5-8H2,(H,19,24)(H,21,23);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119459042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).