N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide

C22H18FN3O4 — CID 70708067

IUPACN-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C(=O)c1ccco1)nn2-c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O4/c1-13(2)30-17-6-3-5-16-19(17)21(24-22(28)20(27)18-7-4-12-29-18)25-26(16)15-10-8-14(23)9-11-15/h3-13H,1-2H3,(H,24,25,28)
InChIKeyPUGKWHYTWJJYAI-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide

N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide (PubChem CID 70708067) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide
PubChem CID70708067
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC NameN-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C(=O)c1ccco1)nn2-c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O4/c1-13(2)30-17-6-3-5-16-19(17)21(24-22(28)20(27)18-7-4-12-29-18)25-26(16)15-10-8-14(23)9-11-15/h3-13H,1-2H3,(H,24,25,28)
InChIKeyPUGKWHYTWJJYAI-UHFFFAOYSA-N
XLogP4.37
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide (CID 70708067) is N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide is CC(C)Oc1cccc2c1c(NC(=O)C(=O)c1ccco1)nn2-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide?
The InChIKey is PUGKWHYTWJJYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c1-13(2)30-17-6-3-5-16-19(17)21(24-22(28)20(27)18-7-4-12-29-18)25-26(16)15-10-8-14(23)9-11-15/h3-13H,1-2H3,(H,24,25,28).
What are the key properties of N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide?
N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide has a molecular weight of 407.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(furan-2-yl)-2-oxoacetamide is sourced from PubChem (CID 70708067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).