[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C19H17F3N2O4 — CID 4855511

IUPAC[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCNC(=O)NC(=O)C(OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F3N2O4/c1-23-18(27)24-17(26)16(13-7-3-2-4-8-13)28-15(25)11-12-6-5-9-14(10-12)19(20,21)22/h2-10,16H,11H2,1H3,(H2,23,24,26,27)
InChIKeyDUGBGELHSYIDQX-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.99
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 4855511) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID4855511
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCNC(=O)NC(=O)C(OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F3N2O4/c1-23-18(27)24-17(26)16(13-7-3-2-4-8-13)28-15(25)11-12-6-5-9-14(10-12)19(20,21)22/h2-10,16H,11H2,1H3,(H2,23,24,26,27)
InChIKeyDUGBGELHSYIDQX-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 4855511) is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate is CNC(=O)NC(=O)C(OC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is DUGBGELHSYIDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-23-18(27)24-17(26)16(13-7-3-2-4-8-13)28-15(25)11-12-6-5-9-14(10-12)19(20,21)22/h2-10,16H,11H2,1H3,(H2,23,24,26,27).
What are the key properties of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 394.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 4855511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).