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

C13H15F4N3O2 — CID 71054452

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

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

N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71054452) has the molecular formula C13H15F4N3O2 and a molecular weight of 321.27 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71054452
Molecular FormulaC13H15F4N3O2
Molecular Weight321.27 g/mol
Exact Mass321.11
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)NCC1=CC(C(F)(F)F)C(F)C=C1
InChIInChI=1S/C13H15F4N3O2/c1-20-10(6-19-12(20)22)11(21)18-5-7-2-3-9(14)8(4-7)13(15,16)17/h2-4,8-10H,5-6H2,1H3,(H,18,21)(H,19,22)
InChIKeySVAUMYAUSKQRTH-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 71054452) is N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NCC1C(=O)NCC1=CC(C(F)(F)F)C(F)C=C1.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is SVAUMYAUSKQRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O2/c1-20-10(6-19-12(20)22)11(21)18-5-7-2-3-9(14)8(4-7)13(15,16)17/h2-4,8-10H,5-6H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
N-[[4-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 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71054452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).