1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

C24H23FN2O4 — CID 3861616

IUPAC1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C=Cc3c[nH]c4ccccc34)CCO2)cc1F
InChIInChI=1S/C24H23FN2O4/c1-16(28)20-8-7-18(12-22(20)25)31-15-19-14-27(10-11-30-19)24(29)9-6-17-13-26-23-5-3-2-4-21(17)23/h2-9,12-13,19,26H,10-11,14-15H2,1H3
InChIKeyFPMUXZVJJMGPMV-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.83
Rot. Bonds6

About 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one (PubChem CID 3861616) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
PubChem CID3861616
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C=Cc3c[nH]c4ccccc34)CCO2)cc1F
InChIInChI=1S/C24H23FN2O4/c1-16(28)20-8-7-18(12-22(20)25)31-15-19-14-27(10-11-30-19)24(29)9-6-17-13-26-23-5-3-2-4-21(17)23/h2-9,12-13,19,26H,10-11,14-15H2,1H3
InChIKeyFPMUXZVJJMGPMV-UHFFFAOYSA-N
XLogP3.83
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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]-2-(9H-fluoren-9-yl)ethanone
CID 3768585
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3869012
1-[2-fluoro-4-[[4-(3-methylfuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3518371
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-fluoren-9-ylideneethanone
CID 3790394
(1S,4R)-1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 74228119
1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3820439
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3847500
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3690681
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 3733269
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone
CID 3842107

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one?
The IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one (CID 3861616) is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one is CC(=O)c1ccc(OCC2CN(C(=O)C=Cc3c[nH]c4ccccc34)CCO2)cc1F.
What is the InChIKey of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one?
The InChIKey is FPMUXZVJJMGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-16(28)20-8-7-18(12-22(20)25)31-15-19-14-27(10-11-30-19)24(29)9-6-17-13-26-23-5-3-2-4-21(17)23/h2-9,12-13,19,26H,10-11,14-15H2,1H3.
What are the key properties of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one?
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one has a molecular weight of 422.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 3861616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).