N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide

C12H15ClN2O2 — CID 66185919

IUPACN-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C12H15ClN2O2/c1-15(10-6-14-7-10)12(16)8-17-11-4-2-3-9(13)5-11/h2-5,10,14H,6-8H2,1H3
InChIKeyNMXWGUFZDBCJAS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.15
Rot. Bonds4

About N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide

N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide (PubChem CID 66185919) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
PubChem CID66185919
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C12H15ClN2O2/c1-15(10-6-14-7-10)12(16)8-17-11-4-2-3-9(13)5-11/h2-5,10,14H,6-8H2,1H3
InChIKeyNMXWGUFZDBCJAS-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide
CID 102872110
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 62228168
N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 104555981
N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716135
N-(2-bromo-3-methoxypropyl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 80671968
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide (CID 66185919) is N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide is CN(C(=O)COc1cccc(Cl)c1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
The InChIKey is NMXWGUFZDBCJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-15(10-6-14-7-10)12(16)8-17-11-4-2-3-9(13)5-11/h2-5,10,14H,6-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 66185919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).