[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C21H22FNO4 — CID 9269914

IUPAC[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H22FNO4/c1-21(2,3)15-10-8-14(9-11-15)18(24)13-27-19(25)12-23-20(26)16-6-4-5-7-17(16)22/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyXDDSFWBMESSGKE-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.28
Rot. Bonds6

About [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9269914) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9269914
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H22FNO4/c1-21(2,3)15-10-8-14(9-11-15)18(24)13-27-19(25)12-23-20(26)16-6-4-5-7-17(16)22/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyXDDSFWBMESSGKE-UHFFFAOYSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 31633447
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270035
[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-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854462
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602179

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9269914) is [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is CC(C)(C)c1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is XDDSFWBMESSGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-21(2,3)15-10-8-14(9-11-15)18(24)13-27-19(25)12-23-20(26)16-6-4-5-7-17(16)22/h4-11H,12-13H2,1-3H3,(H,23,26).
What are the key properties of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 371.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9269914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).