[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C18H15BrFNO5 — CID 31633447

IUPAC[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2F)cc1Br
InChIInChI=1S/C18H15BrFNO5/c1-25-16-7-6-11(8-13(16)19)15(22)10-26-17(23)9-21-18(24)12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyVXRZAKFOWUFRDL-UHFFFAOYSA-N
MW424.22 g/mol
LogP2.75
Rot. Bonds7

About [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 31633447) has the molecular formula C18H15BrFNO5 and a molecular weight of 424.22 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID31633447
Molecular FormulaC18H15BrFNO5
Molecular Weight424.22 g/mol
Exact Mass423.01
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2F)cc1Br
InChIInChI=1S/C18H15BrFNO5/c1-25-16-7-6-11(8-13(16)19)15(22)10-26-17(23)9-21-18(24)12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyVXRZAKFOWUFRDL-UHFFFAOYSA-N
XLogP2.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 46814133
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270035
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827565
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364189
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8841789
1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
CID 78908137
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 31633447) is [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is COc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2F)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is VXRZAKFOWUFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO5/c1-25-16-7-6-11(8-13(16)19)15(22)10-26-17(23)9-21-18(24)12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 424.22 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 31633447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).