N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide

C14H15F6N3O2 — CID 47066474

IUPACN-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
SMILESCC(NC(=O)NCC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F6N3O2/c1-8(9-3-2-4-10(5-9)14(18,19)20)23-12(25)21-6-11(24)22-7-13(15,16)17/h2-5,8H,6-7H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyXBWTVCGUCCYUDL-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.74
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide

N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide (PubChem CID 47066474) has the molecular formula C14H15F6N3O2 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
PubChem CID47066474
Molecular FormulaC14H15F6N3O2
Molecular Weight371.28 g/mol
Exact Mass371.11
IUPAC NameN-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
SMILESCC(NC(=O)NCC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F6N3O2/c1-8(9-3-2-4-10(5-9)14(18,19)20)23-12(25)21-6-11(24)22-7-13(15,16)17/h2-5,8H,6-7H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyXBWTVCGUCCYUDL-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide (CID 47066474) is N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide is CC(NC(=O)NCC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The InChIKey is XBWTVCGUCCYUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6N3O2/c1-8(9-3-2-4-10(5-9)14(18,19)20)23-12(25)21-6-11(24)22-7-13(15,16)17/h2-5,8H,6-7H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide has a molecular weight of 371.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide is sourced from PubChem (CID 47066474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).