2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C19H21BrN2O3 — CID 78803811

IUPAC2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H21BrN2O3/c20-16-2-1-3-18(12-16)25-14-19(23)21-17-6-4-15(5-7-17)13-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,23)
InChIKeyIVGRVFUUGDLEIH-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.30
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 78803811) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID78803811
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H21BrN2O3/c20-16-2-1-3-18(12-16)25-14-19(23)21-17-6-4-15(5-7-17)13-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,23)
InChIKeyIVGRVFUUGDLEIH-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

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730961
2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18284474
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18230254
2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743731
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55647563
2-(2,4-difluorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629949
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 78803811) is 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=C(COc1cccc(Br)c1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is IVGRVFUUGDLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c20-16-2-1-3-18(12-16)25-14-19(23)21-17-6-4-15(5-7-17)13-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,23).
What are the key properties of 2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-(3-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-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 78803811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).