N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C14H15F4N3O2 — CID 25096469

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(F)cc2C(F)(F)F)N(C)C1=O
InChIInChI=1S/C14H15F4N3O2/c1-20-7-11(21(2)13(20)23)12(22)19-6-8-3-4-9(15)5-10(8)14(16,17)18/h3-5,11H,6-7H2,1-2H3,(H,19,22)
InChIKeyKRUKIMJDJRHZRK-UHFFFAOYSA-N
MW333.29 g/mol
LogP1.83
Rot. Bonds3

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 25096469) has the molecular formula C14H15F4N3O2 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID25096469
Molecular FormulaC14H15F4N3O2
Molecular Weight333.29 g/mol
Exact Mass333.11
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(F)cc2C(F)(F)F)N(C)C1=O
InChIInChI=1S/C14H15F4N3O2/c1-20-7-11(21(2)13(20)23)12(22)19-6-8-3-4-9(15)5-10(8)14(16,17)18/h3-5,11H,6-7H2,1-2H3,(H,19,22)
InChIKeyKRUKIMJDJRHZRK-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 25096469) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCc2ccc(F)cc2C(F)(F)F)N(C)C1=O.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is KRUKIMJDJRHZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3O2/c1-20-7-11(21(2)13(20)23)12(22)19-6-8-3-4-9(15)5-10(8)14(16,17)18/h3-5,11H,6-7H2,1-2H3,(H,19,22).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 333.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 25096469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).