2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C19H18FNO4 — CID 134044165

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FNO4/c20-14-7-5-13(6-8-14)17-11-21(9-10-23-17)19(22)18-12-24-15-3-1-2-4-16(15)25-18/h1-8,17-18H,9-12H2
InChIKeyKBVKACRUYDUDFH-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.57
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 134044165) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID134044165
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FNO4/c20-14-7-5-13(6-8-14)17-11-21(9-10-23-17)19(22)18-12-24-15-3-1-2-4-16(15)25-18/h1-8,17-18H,9-12H2
InChIKeyKBVKACRUYDUDFH-UHFFFAOYSA-N
XLogP2.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone 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

(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid
CID 129366605
2,3-dihydro-1-benzofuran-2-yl-(2-phenylmorpholin-4-yl)methanone
CID 134040017
[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 60949473
2,3-dihydro-1,4-benzodioxin-3-yl-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 66726964
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032725
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9368541
[(3R)-3-aminopiperidin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 86318992

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 134044165) is 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone is O=C(C1COc2ccccc2O1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is KBVKACRUYDUDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-14-7-5-13(6-8-14)17-11-21(9-10-23-17)19(22)18-12-24-15-3-1-2-4-16(15)25-18/h1-8,17-18H,9-12H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 343.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 134044165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).