3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide

C20H22F2N2O3 — CID 138998358

IUPAC3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide
SMILESCC(COc1ccccc1F)NC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H22F2N2O3/c1-14(13-27-19-5-3-2-4-16(19)21)23-20(25)15-6-7-18(17(22)12-15)24-8-10-26-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyFCLDJQZTSBMSLP-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.00
Rot. Bonds6

About 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide

3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide (PubChem CID 138998358) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide
PubChem CID138998358
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide
SMILESCC(COc1ccccc1F)NC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H22F2N2O3/c1-14(13-27-19-5-3-2-4-16(19)21)23-20(25)15-6-7-18(17(22)12-15)24-8-10-26-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyFCLDJQZTSBMSLP-UHFFFAOYSA-N
XLogP3.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-(2-methylphenoxy)propan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 132669528
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47071079
(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
CID 94198152
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
CID 138998487
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577814
(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8684935
N-[1-(2-fluorophenoxy)propan-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
CID 139001465

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide (CID 138998358) is 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide is CC(COc1ccccc1F)NC(=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is FCLDJQZTSBMSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-14(13-27-19-5-3-2-4-16(19)21)23-20(25)15-6-7-18(17(22)12-15)24-8-10-26-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide?
3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 376.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 138998358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).