4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile

C14H14BrFN2O3 — CID 166758670

IUPAC4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile
SMILESCC(=O)N1CCOC(COc2ccc(C#N)c(Br)c2F)C1
InChIInChI=1S/C14H14BrFN2O3/c1-9(19)18-4-5-20-11(7-18)8-21-12-3-2-10(6-17)13(15)14(12)16/h2-3,11H,4-5,7-8H2,1H3
InChIKeyZIGQHXDSCOQJMP-UHFFFAOYSA-N
MW357.18 g/mol
LogP2.09
Rot. Bonds3

About 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile

4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile (PubChem CID 166758670) has the molecular formula C14H14BrFN2O3 and a molecular weight of 357.18 g/mol. Its IUPAC name is 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile
PubChem CID166758670
Molecular FormulaC14H14BrFN2O3
Molecular Weight357.18 g/mol
Exact Mass356.02
IUPAC Name4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile
SMILESCC(=O)N1CCOC(COc2ccc(C#N)c(Br)c2F)C1
InChIInChI=1S/C14H14BrFN2O3/c1-9(19)18-4-5-20-11(7-18)8-21-12-3-2-10(6-17)13(15)14(12)16/h2-3,11H,4-5,7-8H2,1H3
InChIKeyZIGQHXDSCOQJMP-UHFFFAOYSA-N
XLogP2.09
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile 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

2-bromo-3-fluoro-4-(morpholin-2-ylmethoxy)benzonitrile
CID 107539843
1-[2-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3311022
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
4-[[(2R)-4-acetylmorpholin-2-yl]methoxy]-2-[2-(aminomethyl)-5-chloro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluorobenzamide
CID 156855927
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3601027
(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 3752460
4-[3-methoxy-4-[[4-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
CID 3750249
N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 118769323
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
2-[[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 3857212

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile?
The IUPAC name of 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile (CID 166758670) is 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile?
The canonical SMILES for 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile is CC(=O)N1CCOC(COc2ccc(C#N)c(Br)c2F)C1.
What is the InChIKey of 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile?
The InChIKey is ZIGQHXDSCOQJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O3/c1-9(19)18-4-5-20-11(7-18)8-21-12-3-2-10(6-17)13(15)14(12)16/h2-3,11H,4-5,7-8H2,1H3.
What are the key properties of 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile?
4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile has a molecular weight of 357.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylmorpholin-2-yl)methoxy]-2-bromo-3-fluorobenzonitrile is sourced from PubChem (CID 166758670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).