(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone

C13H15FN2O3 — CID 118365630

IUPAC(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone
SMILESNc1cc(F)c(C(=O)N2CCOCC2)c2c1OCC2
InChIInChI=1S/C13H15FN2O3/c14-9-7-10(15)12-8(1-4-19-12)11(9)13(17)16-2-5-18-6-3-16/h7H,1-6,15H2
InChIKeyGKGMPHWEZJJYBH-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.82
Rot. Bonds1

About (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone

(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone (PubChem CID 118365630) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone
PubChem CID118365630
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone
SMILESNc1cc(F)c(C(=O)N2CCOCC2)c2c1OCC2
InChIInChI=1S/C13H15FN2O3/c14-9-7-10(15)12-8(1-4-19-12)11(9)13(17)16-2-5-18-6-3-16/h7H,1-6,15H2
InChIKeyGKGMPHWEZJJYBH-UHFFFAOYSA-N
XLogP0.82
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-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

2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(3-amino-2,6-difluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 79772968
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
CID 75537166
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
piperidin-1-yl(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methanone
CID 113199930
2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
CID 61369625

Frequently Asked Questions

What is the IUPAC name of (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone (CID 118365630) is (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone is Nc1cc(F)c(C(=O)N2CCOCC2)c2c1OCC2.
What is the InChIKey of (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone?
The InChIKey is GKGMPHWEZJJYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-7-10(15)12-8(1-4-19-12)11(9)13(17)16-2-5-18-6-3-16/h7H,1-6,15H2.
What are the key properties of (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone?
(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone has a molecular weight of 266.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 118365630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).