N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide

C20H14F2N4O3 — CID 67281255

IUPACN-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)c1F
InChIInChI=1S/C20H14F2N4O3/c1-11(27)23-16-7-6-15(21)14(18(16)22)10-25-9-8-17(24-25)26-19(28)12-4-2-3-5-13(12)20(26)29/h2-9H,10H2,1H3,(H,23,27)
InChIKeyCWYRDLIIGUITLC-UHFFFAOYSA-N
MW396.35 g/mol
LogP2.97
Rot. Bonds4

About N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide

N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide (PubChem CID 67281255) has the molecular formula C20H14F2N4O3 and a molecular weight of 396.35 g/mol. Its IUPAC name is N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide
PubChem CID67281255
Molecular FormulaC20H14F2N4O3
Molecular Weight396.35 g/mol
Exact Mass396.10
IUPAC NameN-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)c1F
InChIInChI=1S/C20H14F2N4O3/c1-11(27)23-16-7-6-15(21)14(18(16)22)10-25-9-8-17(24-25)26-19(28)12-4-2-3-5-13(12)20(26)29/h2-9H,10H2,1H3,(H,23,27)
InChIKeyCWYRDLIIGUITLC-UHFFFAOYSA-N
XLogP2.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide?
The IUPAC name of N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide (CID 67281255) is N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide?
The canonical SMILES for N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)c1F.
What is the InChIKey of N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide?
The InChIKey is CWYRDLIIGUITLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3/c1-11(27)23-16-7-6-15(21)14(18(16)22)10-25-9-8-17(24-25)26-19(28)12-4-2-3-5-13(12)20(26)29/h2-9H,10H2,1H3,(H,23,27).
What are the key properties of N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide?
N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide has a molecular weight of 396.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1,3-dioxoisoindol-2-yl)pyrazol-1-yl]methyl]-2,4-difluorophenyl]acetamide is sourced from PubChem (CID 67281255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).