1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone

C20H22ClFN2O2 — CID 133276893

IUPAC1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClFN2O2/c1-14(25)20-17(22)3-2-4-18(20)23-13-19(24-9-11-26-12-10-24)15-5-7-16(21)8-6-15/h2-8,19,23H,9-13H2,1H3
InChIKeyFMDRCICHSXITRZ-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.17
Rot. Bonds6

About 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone

1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone (PubChem CID 133276893) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone
PubChem CID133276893
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClFN2O2/c1-14(25)20-17(22)3-2-4-18(20)23-13-19(24-9-11-26-12-10-24)15-5-7-16(21)8-6-15/h2-8,19,23H,9-13H2,1H3
InChIKeyFMDRCICHSXITRZ-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone with MolForge

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Related Compounds

1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
CID 52566383
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7496717
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506509
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 60597341
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302697

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone (CID 133276893) is 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1NCC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone?
The InChIKey is FMDRCICHSXITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-14(25)20-17(22)3-2-4-18(20)23-13-19(24-9-11-26-12-10-24)15-5-7-16(21)8-6-15/h2-8,19,23H,9-13H2,1H3.
What are the key properties of 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone?
1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone has a molecular weight of 376.86 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 133276893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).