N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

C24H16F3N3O4 — CID 18832320

IUPACN-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C24H16F3N3O4/c25-24(26,27)22-17-6-8-18-16(9-10-32-18)21(17)30(29-22)15-4-1-13(2-5-15)23(31)28-14-3-7-19-20(11-14)34-12-33-19/h1-5,7,9-11H,6,8,12H2,(H,28,31)
InChIKeyWGZMDYKKBQSWCD-UHFFFAOYSA-N
MW467.40 g/mol
LogP5.23
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (PubChem CID 18832320) has the molecular formula C24H16F3N3O4 and a molecular weight of 467.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
PubChem CID18832320
Molecular FormulaC24H16F3N3O4
Molecular Weight467.40 g/mol
Exact Mass467.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C24H16F3N3O4/c25-24(26,27)22-17-6-8-18-16(9-10-32-18)21(17)30(29-22)15-4-1-13(2-5-15)23(31)28-14-3-7-19-20(11-14)34-12-33-19/h1-5,7,9-11H,6,8,12H2,(H,28,31)
InChIKeyWGZMDYKKBQSWCD-UHFFFAOYSA-N
XLogP5.23
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (CID 18832320) is N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The InChIKey is WGZMDYKKBQSWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O4/c25-24(26,27)22-17-6-8-18-16(9-10-32-18)21(17)30(29-22)15-4-1-13(2-5-15)23(31)28-14-3-7-19-20(11-14)34-12-33-19/h1-5,7,9-11H,6,8,12H2,(H,28,31).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide has a molecular weight of 467.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is sourced from PubChem (CID 18832320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).