N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride

C20H21Cl2FN2O2 — CID 119458494

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C20H20ClFN2O2.ClH/c21-13-2-6-17(7-3-13)26-19-8-1-12(9-18(19)22)20(25)24-16-10-14-4-5-15(11-16)23-14;/h1-3,6-9,14-16,23H,4-5,10-11H2,(H,24,25);1H
InChIKeyQDABIQXTHBMWKG-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.71
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride (PubChem CID 119458494) has the molecular formula C20H21Cl2FN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
PubChem CID119458494
Molecular FormulaC20H21Cl2FN2O2
Molecular Weight411.30 g/mol
Exact Mass410.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C20H20ClFN2O2.ClH/c21-13-2-6-17(7-3-13)26-19-8-1-12(9-18(19)22)20(25)24-16-10-14-4-5-15(11-16)23-14;/h1-3,6-9,14-16,23H,4-5,10-11H2,(H,24,25);1H
InChIKeyQDABIQXTHBMWKG-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride with MolForge

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Related Compounds

4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
CID 119456779
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
CID 119455408
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 119457311
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
CID 119455037
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-(4-bromophenoxy)-3-fluorobenzamide
CID 97314015

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride (CID 119458494) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(Oc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride?
The InChIKey is QDABIQXTHBMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2.ClH/c21-13-2-6-17(7-3-13)26-19-8-1-12(9-18(19)22)20(25)24-16-10-14-4-5-15(11-16)23-14;/h1-3,6-9,14-16,23H,4-5,10-11H2,(H,24,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride has a molecular weight of 411.30 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 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)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119458494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).