benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate

C19H18F3N3O4 — CID 134945627

IUPACbenzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)14-7-4-8-15(9-14)25-17(27)11-23-16(26)10-24-18(28)29-12-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyVKZPCBIKQVLRFO-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.69
Rot. Bonds7

About benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate

benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate (PubChem CID 134945627) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate
PubChem CID134945627
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Namebenzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)14-7-4-8-15(9-14)25-17(27)11-23-16(26)10-24-18(28)29-12-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyVKZPCBIKQVLRFO-UHFFFAOYSA-N
XLogP2.69
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate (CID 134945627) is benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate?
The InChIKey is VKZPCBIKQVLRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c20-19(21,22)14-7-4-8-15(9-14)25-17(27)11-23-16(26)10-24-18(28)29-12-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate?
benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate has a molecular weight of 409.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 134945627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).