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

C23H26ClFN4O2 — CID 53098464

IUPACN-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1Cl
InChIInChI=1S/C23H26ClFN4O2/c1-16-2-7-19(14-21(16)24)26-22(30)27-10-8-20(9-11-27)29-13-12-28(23(29)31)15-17-3-5-18(25)6-4-17/h2-7,14,20H,8-13,15H2,1H3,(H,26,30)
InChIKeyJHQLIAUQHSTZFY-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.72
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098464) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098464
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1Cl
InChIInChI=1S/C23H26ClFN4O2/c1-16-2-7-19(14-21(16)24)26-22(30)27-10-8-20(9-11-27)29-13-12-28(23(29)31)15-17-3-5-18(25)6-4-17/h2-7,14,20H,8-13,15H2,1H3,(H,26,30)
InChIKeyJHQLIAUQHSTZFY-UHFFFAOYSA-N
XLogP4.72
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098464) is N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is JHQLIAUQHSTZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c1-16-2-7-19(14-21(16)24)26-22(30)27-10-8-20(9-11-27)29-13-12-28(23(29)31)15-17-3-5-18(25)6-4-17/h2-7,14,20H,8-13,15H2,1H3,(H,26,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).