N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide

C20H24BrFN2O2 — CID 90385247

IUPACN-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide
SMILESCN(C)CCOc1cc(Br)c(F)cc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C20H24BrFN2O2/c1-24(2)11-12-26-19-13-16(21)17(22)14-18(19)23-20(25)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,23,25)
InChIKeyOCGOPXGDVYYQND-UHFFFAOYSA-N
MW423.33 g/mol
LogP4.49
Rot. Bonds9

About N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide

N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide (PubChem CID 90385247) has the molecular formula C20H24BrFN2O2 and a molecular weight of 423.33 g/mol. Its IUPAC name is N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide
PubChem CID90385247
Molecular FormulaC20H24BrFN2O2
Molecular Weight423.33 g/mol
Exact Mass422.10
IUPAC NameN-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide
SMILESCN(C)CCOc1cc(Br)c(F)cc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C20H24BrFN2O2/c1-24(2)11-12-26-19-13-16(21)17(22)14-18(19)23-20(25)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,23,25)
InChIKeyOCGOPXGDVYYQND-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide 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-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide (CID 90385247) is N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide is CN(C)CCOc1cc(Br)c(F)cc1NC(=O)CCCc1ccccc1.
What is the InChIKey of N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide?
The InChIKey is OCGOPXGDVYYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN2O2/c1-24(2)11-12-26-19-13-16(21)17(22)14-18(19)23-20(25)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide?
N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide has a molecular weight of 423.33 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide is sourced from PubChem (CID 90385247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).