ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate

C21H22FNO4 — CID 146955630

IUPACethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(CC(=O)c2ccccc2F)ccc1N1CCOCC1
InChIInChI=1S/C21H22FNO4/c1-2-27-21(25)17-13-15(7-8-19(17)23-9-11-26-12-10-23)14-20(24)16-5-3-4-6-18(16)22/h3-8,13H,2,9-12,14H2,1H3
InChIKeyAJORCDLQESSROE-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.26
Rot. Bonds6

About ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate

ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate (PubChem CID 146955630) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate
PubChem CID146955630
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Nameethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(CC(=O)c2ccccc2F)ccc1N1CCOCC1
InChIInChI=1S/C21H22FNO4/c1-2-27-21(25)17-13-15(7-8-19(17)23-9-11-26-12-10-23)14-20(24)16-5-3-4-6-18(16)22/h3-8,13H,2,9-12,14H2,1H3
InChIKeyAJORCDLQESSROE-UHFFFAOYSA-N
XLogP3.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
6-[2-(5-fluoro-2-morpholin-4-ylphenyl)-2-oxoethyl]-4-methyl-1H-quinolin-2-one
CID 159564619
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326553
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4626672
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate (CID 146955630) is ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate is CCOC(=O)c1cc(CC(=O)c2ccccc2F)ccc1N1CCOCC1.
What is the InChIKey of ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate?
The InChIKey is AJORCDLQESSROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-2-27-21(25)17-13-15(7-8-19(17)23-9-11-26-12-10-23)14-20(24)16-5-3-4-6-18(16)22/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate?
ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate has a molecular weight of 371.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(2-fluorophenyl)-2-oxoethyl]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 146955630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).