(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone

C12H13BrClNO2 — CID 172647342

IUPAC(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c(Cl)cccc2Br)CCO1
InChIInChI=1S/C12H13BrClNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyMAHGVRCKMBACTD-MRVPVSSYSA-N
MW318.60 g/mol
LogP2.96
Rot. Bonds1

About (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone

(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 172647342) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID172647342
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c(Cl)cccc2Br)CCO1
InChIInChI=1S/C12H13BrClNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyMAHGVRCKMBACTD-MRVPVSSYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647236
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone (CID 172647342) is (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2c(Cl)cccc2Br)CCO1.
What is the InChIKey of (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is MAHGVRCKMBACTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone?
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 318.60 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172647342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).