(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone

C13H15BrFNO2 — CID 171382981

IUPAC(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCc1c(Br)ccc(C(=O)N2CCOC(C)C2)c1F
InChIInChI=1S/C13H15BrFNO2/c1-8-7-16(5-6-18-8)13(17)10-3-4-11(14)9(2)12(10)15/h3-4,8H,5-7H2,1-2H3
InChIKeyMORQJXOEVFIOTN-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.76
Rot. Bonds1

About (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone

(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 171382981) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID171382981
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCc1c(Br)ccc(C(=O)N2CCOC(C)C2)c1F
InChIInChI=1S/C13H15BrFNO2/c1-8-7-16(5-6-18-8)13(17)10-3-4-11(14)9(2)12(10)15/h3-4,8H,5-7H2,1-2H3
InChIKeyMORQJXOEVFIOTN-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 171382979
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(5-bromo-2-fluoro-4-pyridinyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647405
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 79885901
(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-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42942154
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
[2-bromo-3-(trifluoromethyl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647312

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone (CID 171382981) is (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone is Cc1c(Br)ccc(C(=O)N2CCOC(C)C2)c1F.
What is the InChIKey of (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is MORQJXOEVFIOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-8-7-16(5-6-18-8)13(17)10-3-4-11(14)9(2)12(10)15/h3-4,8H,5-7H2,1-2H3.
What are the key properties of (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 316.17 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 171382981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).