(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone

C12H13BrFNO2 — CID 106832545

IUPAC(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H13BrFNO2/c1-8-7-17-5-4-15(8)12(16)10-3-2-9(14)6-11(10)13/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyMAWJIBYYCUNSOZ-MRVPVSSYSA-N
MW302.14 g/mol
LogP2.45
Rot. Bonds1

About (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone

(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 106832545) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID106832545
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H13BrFNO2/c1-8-7-17-5-4-15(8)12(16)10-3-2-9(14)6-11(10)13/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyMAWJIBYYCUNSOZ-MRVPVSSYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone
CID 60822242
[2-bromo-5-(trifluoromethyl)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832465
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
[4-bromo-3-(trifluoromethyl)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832464
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
CID 69149147
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907
(2-bromo-4-fluorophenyl)-[2-(oxolan-2-yl)pyrrolidin-1-yl]methanone
CID 122140221
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 113322442
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone (CID 106832545) is (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is MAWJIBYYCUNSOZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c1-8-7-17-5-4-15(8)12(16)10-3-2-9(14)6-11(10)13/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 302.14 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 106832545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).