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

C13H15BrINO2 — CID 103989123

IUPAC(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(I)ccc2Br)C(C)CO1
InChIInChI=1S/C13H15BrINO2/c1-8-7-18-9(2)6-16(8)13(17)11-5-10(15)3-4-12(11)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFNQXPLWFSWWCJV-UHFFFAOYSA-N
MW424.08 g/mol
LogP3.30
Rot. Bonds1

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

(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 103989123) has the molecular formula C13H15BrINO2 and a molecular weight of 424.08 g/mol. Its IUPAC name is (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID103989123
Molecular FormulaC13H15BrINO2
Molecular Weight424.08 g/mol
Exact Mass422.93
IUPAC Name(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(I)ccc2Br)C(C)CO1
InChIInChI=1S/C13H15BrINO2/c1-8-7-18-9(2)6-16(8)13(17)11-5-10(15)3-4-12(11)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFNQXPLWFSWWCJV-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.08
LogP ≤ 53.30
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

(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103988534
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103887571
(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62155154
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43424620
(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103734967
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 103989123) is (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(I)ccc2Br)C(C)CO1.
What is the InChIKey of (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is FNQXPLWFSWWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrINO2/c1-8-7-18-9(2)6-16(8)13(17)11-5-10(15)3-4-12(11)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 424.08 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 103989123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).