[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone

C17H23ClN2O2 — CID 70771967

IUPAC[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
SMILESCN1CCCCCC1C(=O)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c1-19-10-6-2-3-8-15(19)17(21)20-11-13(12-20)22-16-9-5-4-7-14(16)18/h4-5,7,9,13,15H,2-3,6,8,10-12H2,1H3
InChIKeyXRGZZOSTPYQCIX-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.80
Rot. Bonds3

About [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone

[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone (PubChem CID 70771967) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
PubChem CID70771967
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
SMILESCN1CCCCCC1C(=O)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c1-19-10-6-2-3-8-15(19)17(21)20-11-13(12-20)22-16-9-5-4-7-14(16)18/h4-5,7,9,13,15H,2-3,6,8,10-12H2,1H3
InChIKeyXRGZZOSTPYQCIX-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 96577029
2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
CID 75483886
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
1-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-3-oxopropyl]azepan-2-one
CID 70756717
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
CID 120873460
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
CID 126785969
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone?
The IUPAC name of [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone (CID 70771967) is [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone?
The canonical SMILES for [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone is CN1CCCCCC1C(=O)N1CC(Oc2ccccc2Cl)C1.
What is the InChIKey of [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone?
The InChIKey is XRGZZOSTPYQCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-19-10-6-2-3-8-15(19)17(21)20-11-13(12-20)22-16-9-5-4-7-14(16)18/h4-5,7,9,13,15H,2-3,6,8,10-12H2,1H3.
What are the key properties of [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone?
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone has a molecular weight of 322.84 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone is sourced from PubChem (CID 70771967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).