2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide

C17H17BrClNO3 — CID 17340191

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C17H17BrClNO3/c1-11(2)23-14-6-4-13(5-7-14)20-17(21)10-22-16-8-3-12(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyGEAYFDWMZUUPOX-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.91
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 17340191) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID17340191
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C17H17BrClNO3/c1-11(2)23-14-6-4-13(5-7-14)20-17(21)10-22-16-8-3-12(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyGEAYFDWMZUUPOX-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide (CID 17340191) is 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is GEAYFDWMZUUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-11(2)23-14-6-4-13(5-7-14)20-17(21)10-22-16-8-3-12(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 398.68 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 17340191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).