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

C14H17F4N3O2 — CID 71054525

IUPACN-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=CCC(F)C(C(F)(F)F)=C2)N(C)C1=O
InChIInChI=1S/C14H17F4N3O2/c1-20-7-11(21(2)13(20)23)12(22)19-6-8-3-4-10(15)9(5-8)14(16,17)18/h3,5,10-11H,4,6-7H2,1-2H3,(H,19,22)
InChIKeyCTWDBUOELBYMJZ-UHFFFAOYSA-N
MW335.30 g/mol
LogP1.63
Rot. Bonds3

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

N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71054525) has the molecular formula C14H17F4N3O2 and a molecular weight of 335.30 g/mol. Its IUPAC name is N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71054525
Molecular FormulaC14H17F4N3O2
Molecular Weight335.30 g/mol
Exact Mass335.13
IUPAC NameN-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=CCC(F)C(C(F)(F)F)=C2)N(C)C1=O
InChIInChI=1S/C14H17F4N3O2/c1-20-7-11(21(2)13(20)23)12(22)19-6-8-3-4-10(15)9(5-8)14(16,17)18/h3,5,10-11H,4,6-7H2,1-2H3,(H,19,22)
InChIKeyCTWDBUOELBYMJZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-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-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71054525) is N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCC2=CCC(F)C(C(F)(F)F)=C2)N(C)C1=O.
What is the InChIKey of N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is CTWDBUOELBYMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3O2/c1-20-7-11(21(2)13(20)23)12(22)19-6-8-3-4-10(15)9(5-8)14(16,17)18/h3,5,10-11H,4,6-7H2,1-2H3,(H,19,22).
What are the key properties of N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 335.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71054525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).