N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride

C14H17ClFIN2O — CID 119459355

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(F)cc1I
InChIInChI=1S/C14H16FIN2O.ClH/c15-8-1-4-12(13(16)5-8)14(19)18-11-6-9-2-3-10(7-11)17-9;/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19);1H
InChIKeyGCLICKNZWWOWEH-UHFFFAOYSA-N
MW410.66 g/mol
LogP2.86
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride (PubChem CID 119459355) has the molecular formula C14H17ClFIN2O and a molecular weight of 410.66 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
PubChem CID119459355
Molecular FormulaC14H17ClFIN2O
Molecular Weight410.66 g/mol
Exact Mass410.01
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(F)cc1I
InChIInChI=1S/C14H16FIN2O.ClH/c15-8-1-4-12(13(16)5-8)14(19)18-11-6-9-2-3-10(7-11)17-9;/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19);1H
InChIKeyGCLICKNZWWOWEH-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119456066
4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide
CID 113225219
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119459509
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119456839
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-1H-pyrrole-2-carboxamide;hydrochloride
CID 119457865
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119459042
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride (CID 119459355) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(F)cc1I.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride?
The InChIKey is GCLICKNZWWOWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FIN2O.ClH/c15-8-1-4-12(13(16)5-8)14(19)18-11-6-9-2-3-10(7-11)17-9;/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride has a molecular weight of 410.66 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride is sourced from PubChem (CID 119459355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).