N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide

C13H14F3N3O2 — CID 71055979

IUPACN-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-2-17-11(20)19-8-7-18(12(19)21)10-5-3-9(4-6-10)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,20)
InChIKeyKQTXRAPIWULGIB-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.68
Rot. Bonds2

About N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide

N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide (PubChem CID 71055979) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
PubChem CID71055979
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC NameN-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-2-17-11(20)19-8-7-18(12(19)21)10-5-3-9(4-6-10)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,20)
InChIKeyKQTXRAPIWULGIB-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10044520
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
7-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-ethyl-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 118255661
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
7-(bromomethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-diazepin-2-one
CID 154505014
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 125489925
1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one
CID 59647537
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 66961873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?
The IUPAC name of N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide (CID 71055979) is N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide is CCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?
The InChIKey is KQTXRAPIWULGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-2-17-11(20)19-8-7-18(12(19)21)10-5-3-9(4-6-10)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,20).
What are the key properties of N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?
N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 71055979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).