azetidin-1-yl-(2-chloro-4-iodophenyl)methanone

C10H9ClINO — CID 172647056

IUPACazetidin-1-yl-(2-chloro-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1Cl)N1CCC1
InChIInChI=1S/C10H9ClINO/c11-9-6-7(12)2-3-8(9)10(14)13-4-1-5-13/h2-3,6H,1,4-5H2
InChIKeyKIRCPLHTKSRCCR-UHFFFAOYSA-N
MW321.55 g/mol
LogP2.79
Rot. Bonds1

About azetidin-1-yl-(2-chloro-4-iodophenyl)methanone

azetidin-1-yl-(2-chloro-4-iodophenyl)methanone (PubChem CID 172647056) has the molecular formula C10H9ClINO and a molecular weight of 321.55 g/mol. Its IUPAC name is azetidin-1-yl-(2-chloro-4-iodophenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-chloro-4-iodophenyl)methanone
PubChem CID172647056
Molecular FormulaC10H9ClINO
Molecular Weight321.55 g/mol
Exact Mass320.94
IUPAC Nameazetidin-1-yl-(2-chloro-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1Cl)N1CCC1
InChIInChI=1S/C10H9ClINO/c11-9-6-7(12)2-3-8(9)10(14)13-4-1-5-13/h2-3,6H,1,4-5H2
InChIKeyKIRCPLHTKSRCCR-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 52.79
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

(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
azetidin-1-yl-(2-bromo-4-iodophenyl)methanone
CID 172647054
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119632203
(2-bromo-5-iodophenyl)-piperidin-1-ylmethanone
CID 103988956
(2-chlorophenyl)-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23937716
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
(2,4-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809203
(2-chloro-4-pyrrolidin-1-ylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 91800553
(2-hydroxy-5-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103600079
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119435609
4-benzoyl-N-(2-chloro-4-iodophenyl)-1,4-diazepane-1-carboxamide
CID 112825618

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-chloro-4-iodophenyl)methanone?
The IUPAC name of azetidin-1-yl-(2-chloro-4-iodophenyl)methanone (CID 172647056) is azetidin-1-yl-(2-chloro-4-iodophenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-chloro-4-iodophenyl)methanone?
The canonical SMILES for azetidin-1-yl-(2-chloro-4-iodophenyl)methanone is O=C(c1ccc(I)cc1Cl)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-chloro-4-iodophenyl)methanone?
The InChIKey is KIRCPLHTKSRCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClINO/c11-9-6-7(12)2-3-8(9)10(14)13-4-1-5-13/h2-3,6H,1,4-5H2.
What are the key properties of azetidin-1-yl-(2-chloro-4-iodophenyl)methanone?
azetidin-1-yl-(2-chloro-4-iodophenyl)methanone has a molecular weight of 321.55 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-chloro-4-iodophenyl)methanone is sourced from PubChem (CID 172647056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).