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

C19H21BrN2O3 — CID 979201

IUPAC2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H21BrN2O3/c20-16-3-7-18(8-4-16)25-14-19(23)21-17-5-1-15(2-6-17)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)
InChIKeyYHUDTIVTAMYXRA-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.30
Rot. Bonds6

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

2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 979201) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID979201
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H21BrN2O3/c20-16-3-7-18(8-4-16)25-14-19(23)21-17-5-1-15(2-6-17)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)
InChIKeyYHUDTIVTAMYXRA-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 979201) is 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is YHUDTIVTAMYXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c20-16-3-7-18(8-4-16)25-14-19(23)21-17-5-1-15(2-6-17)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 405.29 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 979201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).