N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C13H15F4N3O2 — CID 71054463

IUPACN-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)NCC1=C(F)C(C(F)(F)F)CC=C1
InChIInChI=1S/C13H15F4N3O2/c1-20-9(6-19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-3,8-9H,4-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyOXWRAWGFYAAPHM-UHFFFAOYSA-N
MW321.27 g/mol
LogP1.49
Rot. Bonds3

About N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71054463) has the molecular formula C13H15F4N3O2 and a molecular weight of 321.27 g/mol. Its IUPAC name is N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71054463
Molecular FormulaC13H15F4N3O2
Molecular Weight321.27 g/mol
Exact Mass321.11
IUPAC NameN-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)NCC1=C(F)C(C(F)(F)F)CC=C1
InChIInChI=1S/C13H15F4N3O2/c1-20-9(6-19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-3,8-9H,4-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyOXWRAWGFYAAPHM-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 71054463) is N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NCC1C(=O)NCC1=C(F)C(C(F)(F)F)CC=C1.
What is the InChIKey of N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is OXWRAWGFYAAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O2/c1-20-9(6-19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-3,8-9H,4-6H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 321.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71054463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).