2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C20H21BrN2O4 — CID 18284474

IUPAC2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21BrN2O4/c21-17-3-6-19(16(11-17)13-24)27-14-20(25)22-18-4-1-15(2-5-18)12-23-7-9-26-10-8-23/h1-6,11,13H,7-10,12,14H2,(H,22,25)
InChIKeySJHNKFIPPNISJI-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.11
Rot. Bonds7

About 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 18284474) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID18284474
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21BrN2O4/c21-17-3-6-19(16(11-17)13-24)27-14-20(25)22-18-4-1-15(2-5-18)12-23-7-9-26-10-8-23/h1-6,11,13H,7-10,12,14H2,(H,22,25)
InChIKeySJHNKFIPPNISJI-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
2-(2,4-difluorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629949
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2192908
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 18284474) is 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is SJHNKFIPPNISJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c21-17-3-6-19(16(11-17)13-24)27-14-20(25)22-18-4-1-15(2-5-18)12-23-7-9-26-10-8-23/h1-6,11,13H,7-10,12,14H2,(H,22,25).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 433.30 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 18284474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).