N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride

C22H32ClFN2O2 — CID 68618876

IUPACN-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride
SMILESCN(CC1CC(Oc2cccc(CN3CCCC3)c2F)C1)C(=O)C1(C)CC1.Cl
InChIInChI=1S/C22H31FN2O2.ClH/c1-22(8-9-22)21(26)24(2)14-16-12-18(13-16)27-19-7-5-6-17(20(19)23)15-25-10-3-4-11-25;/h5-7,16,18H,3-4,8-15H2,1-2H3;1H
InChIKeyIIOQHRDZQDIJOD-UHFFFAOYSA-N
MW410.96 g/mol
LogP4.26
Rot. Bonds7

About N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride

N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 68618876) has the molecular formula C22H32ClFN2O2 and a molecular weight of 410.96 g/mol. Its IUPAC name is N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride
PubChem CID68618876
Molecular FormulaC22H32ClFN2O2
Molecular Weight410.96 g/mol
Exact Mass410.21
IUPAC NameN-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride
SMILESCN(CC1CC(Oc2cccc(CN3CCCC3)c2F)C1)C(=O)C1(C)CC1.Cl
InChIInChI=1S/C22H31FN2O2.ClH/c1-22(8-9-22)21(26)24(2)14-16-12-18(13-16)27-19-7-5-6-17(20(19)23)15-25-10-3-4-11-25;/h5-7,16,18H,3-4,8-15H2,1-2H3;1H
InChIKeyIIOQHRDZQDIJOD-UHFFFAOYSA-N
XLogP4.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.96
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylcarbamic acid;cyclobutane
CID 68620346
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 68619212
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 68618757
3-tert-butyl-1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 68619027
3-(2-chlorophenyl)-1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 68619321
3-(4-chlorophenyl)-1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 68620439
1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 68620366
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide
CID 68618704
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2-fluoro-N-methylbenzenesulfonamide
CID 68618622
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylpiperidine-1-sulfonamide
CID 68619498
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2-ethyl-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 91365860
(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
CID 68620663

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride (CID 68618876) is N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride is CN(CC1CC(Oc2cccc(CN3CCCC3)c2F)C1)C(=O)C1(C)CC1.Cl.
What is the InChIKey of N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is IIOQHRDZQDIJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2.ClH/c1-22(8-9-22)21(26)24(2)14-16-12-18(13-16)27-19-7-5-6-17(20(19)23)15-25-10-3-4-11-25;/h5-7,16,18H,3-4,8-15H2,1-2H3;1H.
What are the key properties of N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride?
N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 410.96 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 68618876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).