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

C11H11Cl2NO2 — CID 116916761

IUPACazetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)C1CNC1
InChIInChI=1S/C11H11Cl2NO2/c1-16-11-8(2-7(12)3-9(11)13)10(15)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3
InChIKeyLIUSYHYJGQHTOV-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.40
Rot. Bonds3

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

azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone (PubChem CID 116916761) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone
PubChem CID116916761
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Nameazetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)C1CNC1
InChIInChI=1S/C11H11Cl2NO2/c1-16-11-8(2-7(12)3-9(11)13)10(15)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3
InChIKeyLIUSYHYJGQHTOV-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

Analyze azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
CID 116916762
(5-chloro-2,3,4-trimethoxyphenyl)-piperidin-4-ylmethanone
CID 96709317
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
CID 82552814
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82550752
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
(4-chloro-1H-pyrrol-2-yl)-(3,5-dichloro-2-methoxyphenyl)methanone
CID 23659425
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone?
The IUPAC name of azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone (CID 116916761) is azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone is COc1c(Cl)cc(Cl)cc1C(=O)C1CNC1.
What is the InChIKey of azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone?
The InChIKey is LIUSYHYJGQHTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-16-11-8(2-7(12)3-9(11)13)10(15)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3.
What are the key properties of azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone?
azetidin-3-yl-(3,5-dichloro-2-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-(3,5-dichloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 116916761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).