(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone

C13H15Br2NO2 — CID 114371991

IUPAC(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c1-13(2)8-18-6-5-16(13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRFJQIYDZMSJXMI-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.46
Rot. Bonds1

About (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone

(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 114371991) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID114371991
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c1-13(2)8-18-6-5-16(13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRFJQIYDZMSJXMI-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103627209
[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 62174330
4-bromo-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61428540
5-bromo-2-(3,3-dimethylmorpholin-4-yl)benzoic acid
CID 114895703
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103752604
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61430706
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
(2-chloro-5-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61225860
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910
(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 105069397
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 114371991) is (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is RFJQIYDZMSJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c1-13(2)8-18-6-5-16(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 (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 377.08 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114371991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).