N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

C23H22F3N5O2 — CID 118937588

IUPACN-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CCCC1(F)F
InChIInChI=1S/C23H22F3N5O2/c24-16-5-1-2-6-19(16)31-18-8-3-7-17(15(18)13-27-31)30-12-11-29(22(30)33)14-21(32)28-20-9-4-10-23(20,25)26/h1-3,5-8,13,20H,4,9-12,14H2,(H,28,32)
InChIKeyOYIPKGATWYHFCQ-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.71
Rot. Bonds5

About N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 118937588) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID118937588
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC NameN-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CCCC1(F)F
InChIInChI=1S/C23H22F3N5O2/c24-16-5-1-2-6-19(16)31-18-8-3-7-17(15(18)13-27-31)30-12-11-29(22(30)33)14-21(32)28-20-9-4-10-23(20,25)26/h1-3,5-8,13,20H,4,9-12,14H2,(H,28,32)
InChIKeyOYIPKGATWYHFCQ-UHFFFAOYSA-N
XLogP3.71
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (CID 118937588) is N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CCCC1(F)F.
What is the InChIKey of N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is OYIPKGATWYHFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c24-16-5-1-2-6-19(16)31-18-8-3-7-17(15(18)13-27-31)30-12-11-29(22(30)33)14-21(32)28-20-9-4-10-23(20,25)26/h1-3,5-8,13,20H,4,9-12,14H2,(H,28,32).
What are the key properties of N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 457.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopentyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118937588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).