2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide

C20H24BrNO4 — CID 4843107

IUPAC2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1OCCC
InChIInChI=1S/C20H24BrNO4/c1-3-10-24-18-9-8-16(13-19(18)25-11-4-2)22-20(23)14-26-17-7-5-6-15(21)12-17/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23)
InChIKeyMKOGWOBYIBTTNC-UHFFFAOYSA-N
MW422.32 g/mol
LogP5.04
Rot. Bonds10

About 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide

2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide (PubChem CID 4843107) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide
PubChem CID4843107
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1OCCC
InChIInChI=1S/C20H24BrNO4/c1-3-10-24-18-9-8-16(13-19(18)25-11-4-2)22-20(23)14-26-17-7-5-6-15(21)12-17/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23)
InChIKeyMKOGWOBYIBTTNC-UHFFFAOYSA-N
XLogP5.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
CID 23966900
2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
CID 46584991
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide (CID 4843107) is 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide is CCCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1OCCC.
What is the InChIKey of 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide?
The InChIKey is MKOGWOBYIBTTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-3-10-24-18-9-8-16(13-19(18)25-11-4-2)22-20(23)14-26-17-7-5-6-15(21)12-17/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide?
2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide has a molecular weight of 422.32 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide is sourced from PubChem (CID 4843107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).