2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C21H25BrN2O3 — CID 60609355

IUPAC2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C21H25BrN2O3/c1-26-15-18-6-3-2-5-17(18)12-23-21(25)14-24-9-10-27-20(13-24)16-7-4-8-19(22)11-16/h2-8,11,20H,9-10,12-15H2,1H3,(H,23,25)
InChIKeyVOTVYKBJGMIGTH-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 60609355) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID60609355
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C21H25BrN2O3/c1-26-15-18-6-3-2-5-17(18)12-23-21(25)14-24-9-10-27-20(13-24)16-7-4-8-19(22)11-16/h2-8,11,20H,9-10,12-15H2,1H3,(H,23,25)
InChIKeyVOTVYKBJGMIGTH-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]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-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide
CID 47090002
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
methyl (2S)-3-[(2R)-2-(3-bromophenyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoate
CID 97317840
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
N-[[2-(methoxymethyl)phenyl]methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112841290
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674
methyl 4-[4-[[2-(3-bromophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzoate
CID 60609675
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
CID 36735412
N-[(3-chlorophenyl)methyl]-2-[2-(4-chlorophenyl)morpholin-4-yl]acetamide
CID 55827928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 60609355) is 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccccc1CNC(=O)CN1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is VOTVYKBJGMIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-26-15-18-6-3-2-5-17(18)12-23-21(25)14-24-9-10-27-20(13-24)16-7-4-8-19(22)11-16/h2-8,11,20H,9-10,12-15H2,1H3,(H,23,25).
What are the key properties of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 433.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60609355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).