N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide

C18H22ClF3N4O2 — CID 25097732

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(C2CCNCC2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H22ClF3N4O2/c1-25-14(10-26(17(25)28)12-5-7-23-8-6-12)16(27)24-9-11-3-2-4-13(15(11)19)18(20,21)22/h2-4,12,14,23H,5-10H2,1H3,(H,24,27)
InChIKeyCJXURVWMEZPCGL-UHFFFAOYSA-N
MW418.85 g/mol
LogP2.46
Rot. Bonds4

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

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide (PubChem CID 25097732) has the molecular formula C18H22ClF3N4O2 and a molecular weight of 418.85 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
PubChem CID25097732
Molecular FormulaC18H22ClF3N4O2
Molecular Weight418.85 g/mol
Exact Mass418.14
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(C2CCNCC2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H22ClF3N4O2/c1-25-14(10-26(17(25)28)12-5-7-23-8-6-12)16(27)24-9-11-3-2-4-13(15(11)19)18(20,21)22/h2-4,12,14,23H,5-10H2,1H3,(H,24,27)
InChIKeyCJXURVWMEZPCGL-UHFFFAOYSA-N
XLogP2.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-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-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide (CID 25097732) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide is CN1C(=O)N(C2CCNCC2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
The InChIKey is CJXURVWMEZPCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N4O2/c1-25-14(10-26(17(25)28)12-5-7-23-8-6-12)16(27)24-9-11-3-2-4-13(15(11)19)18(20,21)22/h2-4,12,14,23H,5-10H2,1H3,(H,24,27).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide has a molecular weight of 418.85 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 25097732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).