[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

C21H20F4N2O4 — CID 42978956

IUPAC[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C21H20F4N2O4/c1-12(14-5-9-17(22)10-6-14)27-19(29)13(2)31-18(28)11-26-20(30)15-3-7-16(8-4-15)21(23,24)25/h3-10,12-13H,11H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNTYPUTNTMMOFIQ-UHFFFAOYSA-N
MW440.39 g/mol
LogP3.38
Rot. Bonds7

About [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 42978956) has the molecular formula C21H20F4N2O4 and a molecular weight of 440.39 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID42978956
Molecular FormulaC21H20F4N2O4
Molecular Weight440.39 g/mol
Exact Mass440.14
IUPAC Name[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C21H20F4N2O4/c1-12(14-5-9-17(22)10-6-14)27-19(29)13(2)31-18(28)11-26-20(30)15-3-7-16(8-4-15)21(23,24)25/h3-10,12-13H,11H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNTYPUTNTMMOFIQ-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]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

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877831
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 46791659
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877432
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899184
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
methyl (3S)-3-(4-fluorophenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 52733979
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 42978956) is [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is CC(OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is NTYPUTNTMMOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O4/c1-12(14-5-9-17(22)10-6-14)27-19(29)13(2)31-18(28)11-26-20(30)15-3-7-16(8-4-15)21(23,24)25/h3-10,12-13H,11H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 440.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 42978956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).