(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone

C11H11ClINO2 — CID 39710545

IUPAC(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1I)N1CCOCC1
InChIInChI=1S/C11H11ClINO2/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyPLJHHJOFMDLZQB-UHFFFAOYSA-N
MW351.57 g/mol
LogP2.42
Rot. Bonds1

About (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone

(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone (PubChem CID 39710545) has the molecular formula C11H11ClINO2 and a molecular weight of 351.57 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
PubChem CID39710545
Molecular FormulaC11H11ClINO2
Molecular Weight351.57 g/mol
Exact Mass350.95
IUPAC Name(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1I)N1CCOCC1
InChIInChI=1S/C11H11ClINO2/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyPLJHHJOFMDLZQB-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113222975
(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103709418
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51275657
1-(5-chloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 113263393
(4-amino-3-methylpiperidin-1-yl)-(5-chloro-2-iodophenyl)methanone;hydrochloride
CID 119592350
(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
CID 172647456
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
CID 130874927
(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677669

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone (CID 39710545) is (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone is O=C(c1cc(Cl)ccc1I)N1CCOCC1.
What is the InChIKey of (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone?
The InChIKey is PLJHHJOFMDLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO2/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone?
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone has a molecular weight of 351.57 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 39710545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).