(3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone

C13H15BrClNO2 — CID 103988534

IUPAC(3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Br)c2Cl)C(C)CO1
InChIInChI=1S/C13H15BrClNO2/c1-8-7-18-9(2)6-16(8)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyJNTVTKIYIKNFLI-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.35
Rot. Bonds1

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

(3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 103988534) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID103988534
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name(3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Br)c2Cl)C(C)CO1
InChIInChI=1S/C13H15BrClNO2/c1-8-7-18-9(2)6-16(8)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyJNTVTKIYIKNFLI-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103989123
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(3-bromo-2-methylphenyl)methanone
CID 81211499
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(2-bromo-3-methylphenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 114024064
(3-amino-4-methylpyrrolidin-1-yl)-(3-bromo-2-chlorophenyl)methanone
CID 103575762
(2,5-dimethylmorpholin-4-yl)-(2-hydrazinyl-3-pyridinyl)methanone
CID 62242697
(2-chloro-3-nitrophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 115931366
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 103988534) is (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(Br)c2Cl)C(C)CO1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is JNTVTKIYIKNFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-8-7-18-9(2)6-16(8)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 332.63 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 103988534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).