(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone

C11H11ClINO — CID 172646486

IUPAC(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2I)C1
InChIInChI=1S/C11H11ClINO/c1-7-5-14(6-7)11(15)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6H2,1H3
InChIKeyVUZSOIAUPZRIDL-UHFFFAOYSA-N
MW335.57 g/mol
LogP3.04
Rot. Bonds1

About (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone

(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone (PubChem CID 172646486) has the molecular formula C11H11ClINO and a molecular weight of 335.57 g/mol. Its IUPAC name is (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
PubChem CID172646486
Molecular FormulaC11H11ClINO
Molecular Weight335.57 g/mol
Exact Mass334.96
IUPAC Name(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2I)C1
InChIInChI=1S/C11H11ClINO/c1-7-5-14(6-7)11(15)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6H2,1H3
InChIKeyVUZSOIAUPZRIDL-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
CID 172647456
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
(4-chloro-2-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039260
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 99467417
(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(4-amino-3-methylpiperidin-1-yl)-(5-chloro-2-iodophenyl)methanone;hydrochloride
CID 119592350
4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide
CID 38911122

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone (CID 172646486) is (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)c2ccc(Cl)cc2I)C1.
What is the InChIKey of (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is VUZSOIAUPZRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO/c1-7-5-14(6-7)11(15)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6H2,1H3.
What are the key properties of (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 335.57 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 172646486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).