(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone

C12H13BrFNO3 — CID 162421226

IUPAC(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(Br)cc(C(=O)N2CCOCC2)c1F
InChIInChI=1S/C12H13BrFNO3/c1-17-10-7-8(13)6-9(11(10)14)12(16)15-2-4-18-5-3-15/h6-7H,2-5H2,1H3
InChIKeyCGATVNIOUAXHMM-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.07
Rot. Bonds2

About (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone

(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 162421226) has the molecular formula C12H13BrFNO3 and a molecular weight of 318.14 g/mol. Its IUPAC name is (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
PubChem CID162421226
Molecular FormulaC12H13BrFNO3
Molecular Weight318.14 g/mol
Exact Mass317.01
IUPAC Name(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(Br)cc(C(=O)N2CCOCC2)c1F
InChIInChI=1S/C12H13BrFNO3/c1-17-10-7-8(13)6-9(11(10)14)12(16)15-2-4-18-5-3-15/h6-7H,2-5H2,1H3
InChIKeyCGATVNIOUAXHMM-UHFFFAOYSA-N
XLogP2.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite
CID 146329829
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone (CID 162421226) is (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone is COc1cc(Br)cc(C(=O)N2CCOCC2)c1F.
What is the InChIKey of (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is CGATVNIOUAXHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO3/c1-17-10-7-8(13)6-9(11(10)14)12(16)15-2-4-18-5-3-15/h6-7H,2-5H2,1H3.
What are the key properties of (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone?
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 318.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 162421226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).