N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide

C25H21FN2O4 — CID 4019358

IUPACN-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c1
InChIInChI=1S/C25H21FN2O4/c1-31-16-11-12-23(32-2)21(13-16)27-24(29)15-28-14-19(17-7-4-6-10-22(17)28)25(30)18-8-3-5-9-20(18)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyCOCBXCGBHIQZPF-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.67
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide (PubChem CID 4019358) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide
PubChem CID4019358
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c1
InChIInChI=1S/C25H21FN2O4/c1-31-16-11-12-23(32-2)21(13-16)27-24(29)15-28-14-19(17-7-4-6-10-22(17)28)25(30)18-8-3-5-9-20(18)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyCOCBXCGBHIQZPF-UHFFFAOYSA-N
XLogP4.67
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide (CID 4019358) is N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide?
The InChIKey is COCBXCGBHIQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-31-16-11-12-23(32-2)21(13-16)27-24(29)15-28-14-19(17-7-4-6-10-22(17)28)25(30)18-8-3-5-9-20(18)26/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide has a molecular weight of 432.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-(2-fluorobenzoyl)indol-1-yl]acetamide is sourced from PubChem (CID 4019358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).