[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

C18H16BrNO5 — CID 9364189

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO5/c1-24-16-5-3-2-4-14(16)15(21)11-25-17(22)10-20-18(23)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyVHGVFRGFEXSHGZ-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.61
Rot. Bonds7

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 9364189) has the molecular formula C18H16BrNO5 and a molecular weight of 406.23 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID9364189
Molecular FormulaC18H16BrNO5
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO5/c1-24-16-5-3-2-4-14(16)15(21)11-25-17(22)10-20-18(23)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyVHGVFRGFEXSHGZ-UHFFFAOYSA-N
XLogP2.61
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364238
(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate
CID 40618352
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 36533829
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 31633447
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7629515
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884609
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35716358
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905848

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 9364189) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is COc1ccccc1C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is VHGVFRGFEXSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5/c1-24-16-5-3-2-4-14(16)15(21)11-25-17(22)10-20-18(23)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 406.23 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 9364189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).