(4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C20H25ClF4N4O2 — CID 166905047

IUPAC(4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H]1CC(C(NC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C20H25ClF4N4O2/c1-10-5-13(6-11(2)29(10)9-20(23,24)25)17(12-3-4-15(22)14(21)7-12)28-18(30)16-8-26-19(31)27-16/h3-4,7,10-11,13,16-17H,5-6,8-9H2,1-2H3,(H,28,30)(H2,26,27,31)/t10-,11+,13?,16-,17?/m0/s1
InChIKeyWSSIYRMASPWQMS-HPYWGUHYSA-N
MW464.89 g/mol
LogP3.37
Rot. Bonds5

About (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166905047) has the molecular formula C20H25ClF4N4O2 and a molecular weight of 464.89 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166905047
Molecular FormulaC20H25ClF4N4O2
Molecular Weight464.89 g/mol
Exact Mass464.16
IUPAC Name(4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H]1CC(C(NC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C20H25ClF4N4O2/c1-10-5-13(6-11(2)29(10)9-20(23,24)25)17(12-3-4-15(22)14(21)7-12)28-18(30)16-8-26-19(31)27-16/h3-4,7,10-11,13,16-17H,5-6,8-9H2,1-2H3,(H,28,30)(H2,26,27,31)/t10-,11+,13?,16-,17?/m0/s1
InChIKeyWSSIYRMASPWQMS-HPYWGUHYSA-N
XLogP3.37
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 166905047) is (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is C[C@@H]1CC(C(NC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)C[C@H](C)N1CC(F)(F)F.
What is the InChIKey of (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is WSSIYRMASPWQMS-HPYWGUHYSA-N. The full InChI is InChI=1S/C20H25ClF4N4O2/c1-10-5-13(6-11(2)29(10)9-20(23,24)25)17(12-3-4-15(22)14(21)7-12)28-18(30)16-8-26-19(31)27-16/h3-4,7,10-11,13,16-17H,5-6,8-9H2,1-2H3,(H,28,30)(H2,26,27,31)/t10-,11+,13?,16-,17?/m0/s1.
What are the key properties of (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 464.89 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-chloro-4-fluorophenyl)-[(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166905047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).