[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

C19H20FNO5 — CID 50929744

IUPAC[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1cccc(C(C)NC(=O)COC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C19H20FNO5/c1-12(13-5-4-6-15(9-13)24-2)21-18(22)11-26-19(23)14-7-8-17(25-3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyZIZVULFGPSXTDU-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.88
Rot. Bonds7

About [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 50929744) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
PubChem CID50929744
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1cccc(C(C)NC(=O)COC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C19H20FNO5/c1-12(13-5-4-6-15(9-13)24-2)21-18(22)11-26-19(23)14-7-8-17(25-3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyZIZVULFGPSXTDU-UHFFFAOYSA-N
XLogP2.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 95181203
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 95181228
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 50929753
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540784
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7558706
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 8540773

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (CID 50929744) is [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is COc1cccc(C(C)NC(=O)COC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is ZIZVULFGPSXTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-12(13-5-4-6-15(9-13)24-2)21-18(22)11-26-19(23)14-7-8-17(25-3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,22).
What are the key properties of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 361.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 50929744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).