1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one

C28H27F2NO4 — CID 3272665

IUPAC1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC2CN(C(=O)C(c3ccccc3)c3ccccc3)CCO2)c(F)c1
InChIInChI=1S/C28H27F2NO4/c1-2-25(32)21-15-23(29)27(24(30)16-21)35-18-22-17-31(13-14-34-22)28(33)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,22,26H,2,13-14,17-18H2,1H3
InChIKeyREJPSYVHCLEFPA-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.00
Rot. Bonds8

About 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one

1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one (PubChem CID 3272665) has the molecular formula C28H27F2NO4 and a molecular weight of 479.52 g/mol. Its IUPAC name is 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
PubChem CID3272665
Molecular FormulaC28H27F2NO4
Molecular Weight479.52 g/mol
Exact Mass479.19
IUPAC Name1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC2CN(C(=O)C(c3ccccc3)c3ccccc3)CCO2)c(F)c1
InChIInChI=1S/C28H27F2NO4/c1-2-25(32)21-15-23(29)27(24(30)16-21)35-18-22-17-31(13-14-34-22)28(33)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,22,26H,2,13-14,17-18H2,1H3
InChIKeyREJPSYVHCLEFPA-UHFFFAOYSA-N
XLogP5.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one with MolForge

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Related Compounds

[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate
CID 3859574
1-[4-[[4-(1-benzoylpiperidine-4-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 3747627
1-[4-[[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 23964317
1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 3768137
1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 74228421
1-[3,5-difluoro-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 74226394
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74226383
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
The IUPAC name of 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one (CID 3272665) is 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
The canonical SMILES for 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one is CCC(=O)c1cc(F)c(OCC2CN(C(=O)C(c3ccccc3)c3ccccc3)CCO2)c(F)c1.
What is the InChIKey of 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
The InChIKey is REJPSYVHCLEFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2NO4/c1-2-25(32)21-15-23(29)27(24(30)16-21)35-18-22-17-31(13-14-34-22)28(33)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,22,26H,2,13-14,17-18H2,1H3.
What are the key properties of 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one has a molecular weight of 479.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one is sourced from PubChem (CID 3272665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).