N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

C17H17F2N5O3 — CID 72866770

IUPACN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCc1c(C(C)NC(=O)CN2CC(=O)NC2=O)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N5O3/c1-9(21-15(25)7-23-8-16(26)22-17(23)27)12-6-20-24(10(12)2)14-4-3-11(18)5-13(14)19/h3-6,9H,7-8H2,1-2H3,(H,21,25)(H,22,26,27)
InChIKeyFQOFEYVVFYRVAB-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.19
Rot. Bonds5

About N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide (PubChem CID 72866770) has the molecular formula C17H17F2N5O3 and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
PubChem CID72866770
Molecular FormulaC17H17F2N5O3
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCc1c(C(C)NC(=O)CN2CC(=O)NC2=O)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N5O3/c1-9(21-15(25)7-23-8-16(26)22-17(23)27)12-6-20-24(10(12)2)14-4-3-11(18)5-13(14)19/h3-6,9H,7-8H2,1-2H3,(H,21,25)(H,22,26,27)
InChIKeyFQOFEYVVFYRVAB-UHFFFAOYSA-N
XLogP1.19
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide (CID 72866770) is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide is Cc1c(C(C)NC(=O)CN2CC(=O)NC2=O)cnn1-c1ccc(F)cc1F.
What is the InChIKey of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is FQOFEYVVFYRVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3/c1-9(21-15(25)7-23-8-16(26)22-17(23)27)12-6-20-24(10(12)2)14-4-3-11(18)5-13(14)19/h3-6,9H,7-8H2,1-2H3,(H,21,25)(H,22,26,27).
What are the key properties of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 377.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 72866770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).