N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide

C13H13ClF3N3O2 — CID 59252117

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)NC1=O
InChIInChI=1S/C13H13ClF3N3O2/c1-20-6-9(19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyBIIWJFMOXVPBRO-UHFFFAOYSA-N
MW335.71 g/mol
LogP2.00
Rot. Bonds3

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

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 59252117) has the molecular formula C13H13ClF3N3O2 and a molecular weight of 335.71 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID59252117
Molecular FormulaC13H13ClF3N3O2
Molecular Weight335.71 g/mol
Exact Mass335.06
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)NC1=O
InChIInChI=1S/C13H13ClF3N3O2/c1-20-6-9(19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyBIIWJFMOXVPBRO-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-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

Related Compounds

(4R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 68600659
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2-(18F)fluoroethyl)-5-oxopyrrolidine-2-carboxamide
CID 162536141
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25019699
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(3-fluoropropyl)-5-oxopyrrolidine-2-carboxamide
CID 146522846
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-4,4-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 67460789
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094618
1-(3-bromoprop-2-ynyl)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 172697622
(2S)-1-[[2-chloro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 168891044
(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157020423
tert-butyl 2-[5-[[2-chloro-3-(trifluoromethyl)phenyl]methylcarbamoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetate
CID 155433549
1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 83295681

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 59252117) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)NC1=O.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is BIIWJFMOXVPBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O2/c1-20-6-9(19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 335.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 59252117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).