[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C20H20FNO6 — CID 7884609

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C20H20FNO6/c1-3-27-15-7-4-13(5-8-15)20(25)22-11-19(24)28-12-17(23)16-10-14(21)6-9-18(16)26-2/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyBVSDYOVMIDVKJK-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.39
Rot. Bonds9

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884609) has the molecular formula C20H20FNO6 and a molecular weight of 389.38 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884609
Molecular FormulaC20H20FNO6
Molecular Weight389.38 g/mol
Exact Mass389.13
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C20H20FNO6/c1-3-27-15-7-4-13(5-8-15)20(25)22-11-19(24)28-12-17(23)16-10-14(21)6-9-18(16)26-2/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyBVSDYOVMIDVKJK-UHFFFAOYSA-N
XLogP2.39
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905848
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7629515
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18285612
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885033
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884570
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364189
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884609) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(F)ccc2OC)cc1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is BVSDYOVMIDVKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO6/c1-3-27-15-7-4-13(5-8-15)20(25)22-11-19(24)28-12-17(23)16-10-14(21)6-9-18(16)26-2/h4-10H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 389.38 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).