2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H17F3N4O3 — CID 3980485

IUPAC2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-6-2-4-8-16(14)26-18(29)11-28-19(30)17(27-20(28)31)9-12-10-25-15-7-3-1-5-13(12)15/h1-8,10,17,25H,9,11H2,(H,26,29)(H,27,31)
InChIKeyRPNIDHRWYYGZST-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3980485) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3980485
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-6-2-4-8-16(14)26-18(29)11-28-19(30)17(27-20(28)31)9-12-10-25-15-7-3-1-5-13(12)15/h1-8,10,17,25H,9,11H2,(H,26,29)(H,27,31)
InChIKeyRPNIDHRWYYGZST-UHFFFAOYSA-N
XLogP3.29
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3980485) is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RPNIDHRWYYGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)14-6-2-4-8-16(14)26-18(29)11-28-19(30)17(27-20(28)31)9-12-10-25-15-7-3-1-5-13(12)15/h1-8,10,17,25H,9,11H2,(H,26,29)(H,27,31).
What are the key properties of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 430.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3980485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).