2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C18H19BrClNO5 — CID 27893473

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H19BrClNO5/c1-23-15-6-11(7-16(24-2)18(15)25-3)9-21-17(22)10-26-14-5-4-12(19)8-13(14)20/h4-8H,9-10H2,1-3H3,(H,21,22)
InChIKeyIKPHSXHCSGFLAO-UHFFFAOYSA-N
MW444.71 g/mol
LogP3.82
Rot. Bonds8

About 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 27893473) has the molecular formula C18H19BrClNO5 and a molecular weight of 444.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID27893473
Molecular FormulaC18H19BrClNO5
Molecular Weight444.71 g/mol
Exact Mass443.01
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H19BrClNO5/c1-23-15-6-11(7-16(24-2)18(15)25-3)9-21-17(22)10-26-14-5-4-12(19)8-13(14)20/h4-8H,9-10H2,1-3H3,(H,21,22)
InChIKeyIKPHSXHCSGFLAO-UHFFFAOYSA-N
XLogP3.82
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
2-(4-bromo-2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767851
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 36568354
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2587253
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
CID 79194704

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 27893473) is 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is IKPHSXHCSGFLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO5/c1-23-15-6-11(7-16(24-2)18(15)25-3)9-21-17(22)10-26-14-5-4-12(19)8-13(14)20/h4-8H,9-10H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 444.71 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 27893473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).