[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

C21H23FN2O4 — CID 7878208

IUPAC[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCc1cccc(C(C)C)c1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4/c1-13(2)17-6-4-5-14(3)20(17)24-18(25)12-28-19(26)11-23-21(27)15-7-9-16(22)10-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyFRODYRYLROLGAU-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.17
Rot. Bonds7

About [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7878208) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7878208
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCc1cccc(C(C)C)c1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4/c1-13(2)17-6-4-5-14(3)20(17)24-18(25)12-28-19(26)11-23-21(27)15-7-9-16(22)10-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyFRODYRYLROLGAU-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764446
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883655
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307446
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2435644
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799895
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzoate
CID 2105140
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228079
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854161
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855178

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7878208) is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is Cc1cccc(C(C)C)c1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is FRODYRYLROLGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-13(2)17-6-4-5-14(3)20(17)24-18(25)12-28-19(26)11-23-21(27)15-7-9-16(22)10-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 386.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7878208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).