azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone

C11H11Cl2NO2 — CID 116916762

IUPACazetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)C2CNC2)cc1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-10-3-8(12)7(2-9(10)13)11(15)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3
InChIKeyGCRPVCUECMDDTH-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.40
Rot. Bonds3

About azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone

azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone (PubChem CID 116916762) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
PubChem CID116916762
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Nameazetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)C2CNC2)cc1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-10-3-8(12)7(2-9(10)13)11(15)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3
InChIKeyGCRPVCUECMDDTH-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone
CID 116916761
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176675
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(2-chloro-4,5-dimethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64913790
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone?
The IUPAC name of azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone (CID 116916762) is azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone is COc1cc(Cl)c(C(=O)C2CNC2)cc1Cl.
What is the InChIKey of azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone?
The InChIKey is GCRPVCUECMDDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-16-10-3-8(12)7(2-9(10)13)11(15)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3.
What are the key properties of azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone?
azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone has a molecular weight of 260.12 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 116916762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).