methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate

C19H20FNO4 — CID 51928084

IUPACmethyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c1-13(14-8-10-15(20)11-9-14)21(2)18(22)12-25-17-7-5-4-6-16(17)19(23)24-3/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeySXBRBEUEZKZFIO-ZDUSSCGKSA-N
MW345.37 g/mol
LogP3.21
Rot. Bonds6

About methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate

methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate (PubChem CID 51928084) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate
PubChem CID51928084
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Namemethyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c1-13(14-8-10-15(20)11-9-14)21(2)18(22)12-25-17-7-5-4-6-16(17)19(23)24-3/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeySXBRBEUEZKZFIO-ZDUSSCGKSA-N
XLogP3.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 78824888
2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24683025
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51288135
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55473244
2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide
CID 112781539
2-(2-methoxyphenoxy)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9470980
methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877072
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 8509415
2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 46521998

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate (CID 51928084) is methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate?
The InChIKey is SXBRBEUEZKZFIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-13(14-8-10-15(20)11-9-14)21(2)18(22)12-25-17-7-5-4-6-16(17)19(23)24-3/h4-11,13H,12H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate?
methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate has a molecular weight of 345.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 51928084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).