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

C20H21ClF2N2O — CID 119456066

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C20H20F2N2O.ClH/c21-14-4-1-12(2-5-14)13-3-8-18(19(22)9-13)20(25)24-17-10-15-6-7-16(11-17)23-15;/h1-5,8-9,15-17,23H,6-7,10-11H2,(H,24,25);1H
InChIKeyOJIMYWLQAVUXDF-UHFFFAOYSA-N
MW378.85 g/mol
LogP4.07
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride (PubChem CID 119456066) has the molecular formula C20H21ClF2N2O and a molecular weight of 378.85 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
PubChem CID119456066
Molecular FormulaC20H21ClF2N2O
Molecular Weight378.85 g/mol
Exact Mass378.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C20H20F2N2O.ClH/c21-14-4-1-12(2-5-14)13-3-8-18(19(22)9-13)20(25)24-17-10-15-6-7-16(11-17)23-15;/h1-5,8-9,15-17,23H,6-7,10-11H2,(H,24,25);1H
InChIKeyOJIMYWLQAVUXDF-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
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-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119459509
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)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230033

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride (CID 119456066) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride?
The InChIKey is OJIMYWLQAVUXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O.ClH/c21-14-4-1-12(2-5-14)13-3-8-18(19(22)9-13)20(25)24-17-10-15-6-7-16(11-17)23-15;/h1-5,8-9,15-17,23H,6-7,10-11H2,(H,24,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride has a molecular weight of 378.85 g/mol, XLogP of 4.07, 3 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)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride is sourced from PubChem (CID 119456066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).