[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C18H15F2NO5 — CID 8788019

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H15F2NO5/c1-25-13-5-2-11(3-6-13)18(24)21-9-17(23)26-10-16(22)12-4-7-14(19)15(20)8-12/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyGUXZEYUZRCDMHE-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.13
Rot. Bonds7

About [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 8788019) has the molecular formula C18H15F2NO5 and a molecular weight of 363.32 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID8788019
Molecular FormulaC18H15F2NO5
Molecular Weight363.32 g/mol
Exact Mass363.09
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H15F2NO5/c1-25-13-5-2-11(3-6-13)18(24)21-9-17(23)26-10-16(22)12-4-7-14(19)15(20)8-12/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyGUXZEYUZRCDMHE-UHFFFAOYSA-N
XLogP2.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35716358
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
CID 8788738
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269498
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 46814133
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
[2-(3,4-difluorophenyl)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861134
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 8788019) is [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is GUXZEYUZRCDMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO5/c1-25-13-5-2-11(3-6-13)18(24)21-9-17(23)26-10-16(22)12-4-7-14(19)15(20)8-12/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 363.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8788019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).