2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

C20H15BrN2O3 — CID 127042037

IUPAC2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1cccnc1
InChIInChI=1S/C20H15BrN2O3/c21-18-6-2-1-5-17(18)20(25)14-7-9-16(10-8-14)26-13-19(24)23-15-4-3-11-22-12-15/h1-12H,13H2,(H,23,24)
InChIKeyQNWXOXKHLFTJBA-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.09
Rot. Bonds6

About 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (PubChem CID 127042037) has the molecular formula C20H15BrN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
PubChem CID127042037
Molecular FormulaC20H15BrN2O3
Molecular Weight411.26 g/mol
Exact Mass410.03
IUPAC Name2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1cccnc1
InChIInChI=1S/C20H15BrN2O3/c21-18-6-2-1-5-17(18)20(25)14-7-9-16(10-8-14)26-13-19(24)23-15-4-3-11-22-12-15/h1-12H,13H2,(H,23,24)
InChIKeyQNWXOXKHLFTJBA-UHFFFAOYSA-N
XLogP4.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide 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 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (CID 127042037) is 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is O=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1cccnc1.
What is the InChIKey of 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The InChIKey is QNWXOXKHLFTJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3/c21-18-6-2-1-5-17(18)20(25)14-7-9-16(10-8-14)26-13-19(24)23-15-4-3-11-22-12-15/h1-12H,13H2,(H,23,24).
What are the key properties of 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide has a molecular weight of 411.26 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 127042037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).