(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone

C14H17BrFNO2 — CID 79742554

IUPAC(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H17BrFNO2/c1-2-5-17-6-7-19-13(9-17)14(18)11-8-10(15)3-4-12(11)16/h3-4,8,13H,2,5-7,9H2,1H3
InChIKeyUESGQIKUMBSZON-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.88
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone

(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone (PubChem CID 79742554) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
PubChem CID79742554
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H17BrFNO2/c1-2-5-17-6-7-19-13(9-17)14(18)11-8-10(15)3-4-12(11)16/h3-4,8,13H,2,5-7,9H2,1H3
InChIKeyUESGQIKUMBSZON-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 82822768
(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663278
2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79663279
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663285
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
CID 114686036
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580
2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone
CID 114744266
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone (CID 79742554) is (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2cc(Br)ccc2F)C1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone?
The InChIKey is UESGQIKUMBSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-2-5-17-6-7-19-13(9-17)14(18)11-8-10(15)3-4-12(11)16/h3-4,8,13H,2,5-7,9H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone?
(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone has a molecular weight of 330.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 79742554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).