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

C18H26ClFN2O3 — CID 119456779

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
SMILESCOCCOCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1F.Cl
InChIInChI=1S/C18H25FN2O3.ClH/c1-23-6-7-24-11-13-8-12(2-5-17(13)19)18(22)21-16-9-14-3-4-15(10-16)20-14;/h2,5,8,14-16,20H,3-4,6-7,9-11H2,1H3,(H,21,22);1H
InChIKeyMHWWPVFDFMYEEH-UHFFFAOYSA-N
MW372.87 g/mol
LogP2.42
Rot. Bonds7

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride (PubChem CID 119456779) has the molecular formula C18H26ClFN2O3 and a molecular weight of 372.87 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
PubChem CID119456779
Molecular FormulaC18H26ClFN2O3
Molecular Weight372.87 g/mol
Exact Mass372.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
SMILESCOCCOCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1F.Cl
InChIInChI=1S/C18H25FN2O3.ClH/c1-23-6-7-24-11-13-8-12(2-5-17(13)19)18(22)21-16-9-14-3-4-15(10-16)20-14;/h2,5,8,14-16,20H,3-4,6-7,9-11H2,1H3,(H,21,22);1H
InChIKeyMHWWPVFDFMYEEH-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598082
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119636598
4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide
CID 160583776
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
CID 120947477
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride (CID 119456779) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride is COCCOCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1F.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride?
The InChIKey is MHWWPVFDFMYEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3.ClH/c1-23-6-7-24-11-13-8-12(2-5-17(13)19)18(22)21-16-9-14-3-4-15(10-16)20-14;/h2,5,8,14-16,20H,3-4,6-7,9-11H2,1H3,(H,21,22);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride has a molecular weight of 372.87 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride is sourced from PubChem (CID 119456779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).