1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone

C22H27FN2O3 — CID 110825842

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone
SMILESCOc1ccc(C(=O)CNCC(c2ccc(C)cc2)N2CCOCC2)cc1F
InChIInChI=1S/C22H27FN2O3/c1-16-3-5-17(6-4-16)20(25-9-11-28-12-10-25)14-24-15-21(26)18-7-8-22(27-2)19(23)13-18/h3-8,13,20,24H,9-12,14-15H2,1-2H3
InChIKeyYXIFLDYARXGCAE-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.99
Rot. Bonds8

About 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone (PubChem CID 110825842) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone
PubChem CID110825842
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone
SMILESCOc1ccc(C(=O)CNCC(c2ccc(C)cc2)N2CCOCC2)cc1F
InChIInChI=1S/C22H27FN2O3/c1-16-3-5-17(6-4-16)20(25-9-11-28-12-10-25)14-24-15-21(26)18-7-8-22(27-2)19(23)13-18/h3-8,13,20,24H,9-12,14-15H2,1-2H3
InChIKeyYXIFLDYARXGCAE-UHFFFAOYSA-N
XLogP2.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone with MolForge

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-[(2-phenyl-2-piperidin-1-ylethyl)amino]ethanone
CID 110825838
1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110830524
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55899935
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone
CID 110825860
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-1-(4-methylphenyl)ethanone
CID 110825984
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone (CID 110825842) is 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone is COc1ccc(C(=O)CNCC(c2ccc(C)cc2)N2CCOCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone?
The InChIKey is YXIFLDYARXGCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-16-3-5-17(6-4-16)20(25-9-11-28-12-10-25)14-24-15-21(26)18-7-8-22(27-2)19(23)13-18/h3-8,13,20,24H,9-12,14-15H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone has a molecular weight of 386.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone is sourced from PubChem (CID 110825842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).