N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide

C24H19FN2O3 — CID 41109096

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19FN2O3/c25-18-7-5-16(6-8-18)13-27-14-17(20-3-1-2-4-21(20)27)11-24(28)26-19-9-10-22-23(12-19)30-15-29-22/h1-10,12,14H,11,13,15H2,(H,26,28)
InChIKeyTWDXAKULHJJEQX-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.74
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide (PubChem CID 41109096) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide
PubChem CID41109096
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19FN2O3/c25-18-7-5-16(6-8-18)13-27-14-17(20-3-1-2-4-21(20)27)11-24(28)26-19-9-10-22-23(12-19)30-15-29-22/h1-10,12,14H,11,13,15H2,(H,26,28)
InChIKeyTWDXAKULHJJEQX-UHFFFAOYSA-N
XLogP4.74
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide (CID 41109096) is N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide is O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide?
The InChIKey is TWDXAKULHJJEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-18-7-5-16(6-8-18)13-27-14-17(20-3-1-2-4-21(20)27)11-24(28)26-19-9-10-22-23(12-19)30-15-29-22/h1-10,12,14H,11,13,15H2,(H,26,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 41109096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).