(2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C19H17BrF3NO3 — CID 56763893

IUPAC(2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C19H17BrF3NO3/c1-26-14-6-7-16(20)15(10-14)18(25)24-8-9-27-17(11-24)12-2-4-13(5-3-12)19(21,22)23/h2-7,10,17H,8-9,11H2,1H3
InChIKeyLXBIUGNEQICNIN-UHFFFAOYSA-N
MW444.25 g/mol
LogP4.69
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 56763893) has the molecular formula C19H17BrF3NO3 and a molecular weight of 444.25 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID56763893
Molecular FormulaC19H17BrF3NO3
Molecular Weight444.25 g/mol
Exact Mass443.03
IUPAC Name(2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C19H17BrF3NO3/c1-26-14-6-7-16(20)15(10-14)18(25)24-8-9-27-17(11-24)12-2-4-13(5-3-12)19(21,22)23/h2-7,10,17H,8-9,11H2,1H3
InChIKeyLXBIUGNEQICNIN-UHFFFAOYSA-N
XLogP4.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.25
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 56763893) is (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is COc1ccc(Br)c(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is LXBIUGNEQICNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3NO3/c1-26-14-6-7-16(20)15(10-14)18(25)24-8-9-27-17(11-24)12-2-4-13(5-3-12)19(21,22)23/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 444.25 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56763893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).