N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide

C26H34FN3O3 — CID 5104720

IUPACN-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
SMILESCC(C)CN(CC(=O)N1CC(=O)N(c2ccc(F)cc2)C1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34FN3O3/c1-17(2)13-28(25(33)26-10-18-7-19(11-26)9-20(8-18)12-26)14-23(31)29-15-24(32)30(16-29)22-5-3-21(27)4-6-22/h3-6,17-20H,7-16H2,1-2H3
InChIKeyAESOIJCZSJHHDI-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.66
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide

N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide (PubChem CID 5104720) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
PubChem CID5104720
Molecular FormulaC26H34FN3O3
Molecular Weight455.57 g/mol
Exact Mass455.26
IUPAC NameN-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
SMILESCC(C)CN(CC(=O)N1CC(=O)N(c2ccc(F)cc2)C1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34FN3O3/c1-17(2)13-28(25(33)26-10-18-7-19(11-26)9-20(8-18)12-26)14-23(31)29-15-24(32)30(16-29)22-5-3-21(27)4-6-22/h3-6,17-20H,7-16H2,1-2H3
InChIKeyAESOIJCZSJHHDI-UHFFFAOYSA-N
XLogP3.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide (CID 5104720) is N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide is CC(C)CN(CC(=O)N1CC(=O)N(c2ccc(F)cc2)C1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
The InChIKey is AESOIJCZSJHHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3/c1-17(2)13-28(25(33)26-10-18-7-19(11-26)9-20(8-18)12-26)14-23(31)29-15-24(32)30(16-29)22-5-3-21(27)4-6-22/h3-6,17-20H,7-16H2,1-2H3.
What are the key properties of N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 5104720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).