[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate

C20H21FN2O4 — CID 8662774

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC(C)N(C(=O)COC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-14(2)23(17-9-4-3-5-10-17)18(24)13-27-19(25)12-22-20(26)15-7-6-8-16(21)11-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyBNHJIWULYYFVQP-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.54
Rot. Bonds7

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 8662774) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID8662774
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC(C)N(C(=O)COC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-14(2)23(17-9-4-3-5-10-17)18(24)13-27-19(25)12-22-20(26)15-7-6-8-16(21)11-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyBNHJIWULYYFVQP-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 5099591
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548358
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662599
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827325
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662881
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662810
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 8662774) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate is CC(C)N(C(=O)COC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is BNHJIWULYYFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-14(2)23(17-9-4-3-5-10-17)18(24)13-27-19(25)12-22-20(26)15-7-6-8-16(21)11-15/h3-11,14H,12-13H2,1-2H3,(H,22,26).
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 372.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 8662774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).