(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone

C13H15ClINO2 — CID 113222975

IUPAC(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)ccc2I)CCO1
InChIInChI=1S/C13H15ClINO2/c1-13(2)8-16(5-6-18-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRTEVVAKJKKVLHL-UHFFFAOYSA-N
MW379.63 g/mol
LogP3.20
Rot. Bonds1

About (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone

(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 113222975) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID113222975
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)ccc2I)CCO1
InChIInChI=1S/C13H15ClINO2/c1-13(2)8-16(5-6-18-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRTEVVAKJKKVLHL-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 53.20
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

(2,2-dimethylmorpholin-4-yl)-(2-iodo-5-nitrophenyl)methanone
CID 43430989
(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103709418
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
1-(5-chloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 113263393
(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430898
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 113222975) is (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(Cl)ccc2I)CCO1.
What is the InChIKey of (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is RTEVVAKJKKVLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c1-13(2)8-16(5-6-18-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 379.63 g/mol, XLogP of 3.20, 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)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 113222975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).