[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone

C12H14FIN2O — CID 172646736

IUPAC[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone
SMILESCN(C)C1CN(C(=O)c2c(F)cccc2I)C1
InChIInChI=1S/C12H14FIN2O/c1-15(2)8-6-16(7-8)12(17)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7H2,1-2H3
InChIKeyPXNKXODBMHWOSL-UHFFFAOYSA-N
MW348.16 g/mol
LogP1.82
Rot. Bonds2

About [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone

[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone (PubChem CID 172646736) has the molecular formula C12H14FIN2O and a molecular weight of 348.16 g/mol. Its IUPAC name is [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone
PubChem CID172646736
Molecular FormulaC12H14FIN2O
Molecular Weight348.16 g/mol
Exact Mass348.01
IUPAC Name[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone
SMILESCN(C)C1CN(C(=O)c2c(F)cccc2I)C1
InChIInChI=1S/C12H14FIN2O/c1-15(2)8-6-16(7-8)12(17)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7H2,1-2H3
InChIKeyPXNKXODBMHWOSL-UHFFFAOYSA-N
XLogP1.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)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

[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-3-iodophenyl)methanone
CID 172646755
(2-bromo-3-fluorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646777
(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119494037
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-5-iodophenyl)methanone
CID 172646753
[3-(dimethylamino)azetidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 172646725
1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid
CID 119349235
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-6-iodophenyl)methanone;hydrochloride
CID 119487395
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
(2-bromo-6-methoxyphenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646795
1-(2-fluoro-6-iodophenyl)ethanone
CID 20777138
[3-(dimethylamino)azetidin-1-yl]-(4-iodo-3-methylphenyl)methanone
CID 172646765
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone?
The IUPAC name of [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone (CID 172646736) is [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone?
The canonical SMILES for [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone is CN(C)C1CN(C(=O)c2c(F)cccc2I)C1.
What is the InChIKey of [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone?
The InChIKey is PXNKXODBMHWOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O/c1-15(2)8-6-16(7-8)12(17)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone?
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone has a molecular weight of 348.16 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone is sourced from PubChem (CID 172646736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).