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

C18H21ClF4N4O2 — CID 162520830

IUPACN-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(c2ccc(F)c(Cl)c2)C2CCN(CC(F)(F)F)CC2)N1
InChIInChI=1S/C18H21ClF4N4O2/c19-12-7-11(1-2-13(12)20)15(26-16(28)14-8-24-17(29)25-14)10-3-5-27(6-4-10)9-18(21,22)23/h1-2,7,10,14-15H,3-6,8-9H2,(H,26,28)(H2,24,25,29)
InChIKeyNHBRQUHBSKEDJZ-UHFFFAOYSA-N
MW436.84 g/mol
LogP2.59
Rot. Bonds5

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

N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520830) has the molecular formula C18H21ClF4N4O2 and a molecular weight of 436.84 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520830
Molecular FormulaC18H21ClF4N4O2
Molecular Weight436.84 g/mol
Exact Mass436.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(c2ccc(F)c(Cl)c2)C2CCN(CC(F)(F)F)CC2)N1
InChIInChI=1S/C18H21ClF4N4O2/c19-12-7-11(1-2-13(12)20)15(26-16(28)14-8-24-17(29)25-14)10-3-5-27(6-4-10)9-18(21,22)23/h1-2,7,10,14-15H,3-6,8-9H2,(H,26,28)(H2,24,25,29)
InChIKeyNHBRQUHBSKEDJZ-UHFFFAOYSA-N
XLogP2.59
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520830) is N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)NC(c2ccc(F)c(Cl)c2)C2CCN(CC(F)(F)F)CC2)N1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is NHBRQUHBSKEDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF4N4O2/c19-12-7-11(1-2-13(12)20)15(26-16(28)14-8-24-17(29)25-14)10-3-5-27(6-4-10)9-18(21,22)23/h1-2,7,10,14-15H,3-6,8-9H2,(H,26,28)(H2,24,25,29).
What are the key properties of N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 436.84 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).