1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone

C11H12ClNO — CID 126758652

IUPAC1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-8(14)13-7-6-11(13)9-2-4-10(12)5-3-9/h2-5,11H,6-7H2,1H3
InChIKeyOYHWJWNNHNEQED-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.63
Rot. Bonds1

About 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone

1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone (PubChem CID 126758652) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
PubChem CID126758652
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-8(14)13-7-6-11(13)9-2-4-10(12)5-3-9/h2-5,11H,6-7H2,1H3
InChIKeyOYHWJWNNHNEQED-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone
CID 71929460
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97217116
[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97217115
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
[2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 126812922
6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 164643258
(2S)-2-amino-1-[2-(4-chlorophenyl)azepan-1-yl]propan-1-one
CID 119328712
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 97217119

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone (CID 126758652) is 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone is CC(=O)N1CCC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone?
The InChIKey is OYHWJWNNHNEQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8(14)13-7-6-11(13)9-2-4-10(12)5-3-9/h2-5,11H,6-7H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone?
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone has a molecular weight of 209.68 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 126758652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).