1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone

C24H24FNO4 — CID 3820439

IUPAC1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C3=C(C)c4ccccc4C3)CCO2)cc1F
InChIInChI=1S/C24H24FNO4/c1-15-20-6-4-3-5-17(20)11-22(15)24(28)26-9-10-29-19(13-26)14-30-18-7-8-21(16(2)27)23(25)12-18/h3-8,12,19H,9-11,13-14H2,1-2H3
InChIKeyJLKMODWLLAFAIU-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone

1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone (PubChem CID 3820439) has the molecular formula C24H24FNO4 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
PubChem CID3820439
Molecular FormulaC24H24FNO4
Molecular Weight409.46 g/mol
Exact Mass409.17
IUPAC Name1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C3=C(C)c4ccccc4C3)CCO2)cc1F
InChIInChI=1S/C24H24FNO4/c1-15-20-6-4-3-5-17(20)11-22(15)24(28)26-9-10-29-19(13-26)14-30-18-7-8-21(16(2)27)23(25)12-18/h3-8,12,19H,9-11,13-14H2,1-2H3
InChIKeyJLKMODWLLAFAIU-UHFFFAOYSA-N
XLogP3.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone with MolForge

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Related Compounds

(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 3344780
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3768585
1-[2-fluoro-4-[[4-(3-methylfuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3518371
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3869012
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-fluoren-9-ylideneethanone
CID 3790394
1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone
CID 3842107
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3847500
1-[4-[[4-(1H-indole-3-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3840261
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
CID 3861616
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3690681

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone (CID 3820439) is 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCC2CN(C(=O)C3=C(C)c4ccccc4C3)CCO2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
The InChIKey is JLKMODWLLAFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO4/c1-15-20-6-4-3-5-17(20)11-22(15)24(28)26-9-10-29-19(13-26)14-30-18-7-8-21(16(2)27)23(25)12-18/h3-8,12,19H,9-11,13-14H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone has a molecular weight of 409.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 3820439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).