N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide

C18H24ClF3N4O2 — CID 71054470

IUPACN-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(C2CCNCC2)CC1C(=O)NCC1=C(Cl)C(C(F)(F)F)CC=C1
InChIInChI=1S/C18H24ClF3N4O2/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/h2-3,12-14,23H,4-10H2,1H3,(H,24,27)
InChIKeyHZQHYPQFMGPTKM-UHFFFAOYSA-N
MW420.86 g/mol
LogP2.22
Rot. Bonds4

About N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide

N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide (PubChem CID 71054470) has the molecular formula C18H24ClF3N4O2 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
PubChem CID71054470
Molecular FormulaC18H24ClF3N4O2
Molecular Weight420.86 g/mol
Exact Mass420.15
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(C2CCNCC2)CC1C(=O)NCC1=C(Cl)C(C(F)(F)F)CC=C1
InChIInChI=1S/C18H24ClF3N4O2/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/h2-3,12-14,23H,4-10H2,1H3,(H,24,27)
InChIKeyHZQHYPQFMGPTKM-UHFFFAOYSA-N
XLogP2.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide (CID 71054470) is N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide is CN1C(=O)N(C2CCNCC2)CC1C(=O)NCC1=C(Cl)C(C(F)(F)F)CC=C1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
The InChIKey is HZQHYPQFMGPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClF3N4O2/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/h2-3,12-14,23H,4-10H2,1H3,(H,24,27).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 2.22, 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)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 71054470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).