N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

C22H24ClFN4O2 — CID 53098459

IUPACN-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C22H24ClFN4O2/c23-19-3-1-2-4-20(19)25-21(29)26-11-9-18(10-12-26)28-14-13-27(22(28)30)15-16-5-7-17(24)8-6-16/h1-8,18H,9-15H2,(H,25,29)
InChIKeyVCQVXQUDBAWUJD-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.41
Rot. Bonds4

About N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098459) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098459
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC NameN-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C22H24ClFN4O2/c23-19-3-1-2-4-20(19)25-21(29)26-11-9-18(10-12-26)28-14-13-27(22(28)30)15-16-5-7-17(24)8-6-16/h1-8,18H,9-15H2,(H,25,29)
InChIKeyVCQVXQUDBAWUJD-UHFFFAOYSA-N
XLogP4.41
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098459) is N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is VCQVXQUDBAWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c23-19-3-1-2-4-20(19)25-21(29)26-11-9-18(10-12-26)28-14-13-27(22(28)30)15-16-5-7-17(24)8-6-16/h1-8,18H,9-15H2,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 430.91 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).