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

C17H17BrClNO2 — CID 7708017

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C17H17BrClNO2/c1-11(2)12-3-6-14(7-4-12)20-17(21)10-22-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyJIIZCBLWYBCLER-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.24
Rot. Bonds5

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

2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 7708017) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID7708017
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C17H17BrClNO2/c1-11(2)12-3-6-14(7-4-12)20-17(21)10-22-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyJIIZCBLWYBCLER-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340191
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
2-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 2194297
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-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide (CID 7708017) is 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is JIIZCBLWYBCLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-11(2)12-3-6-14(7-4-12)20-17(21)10-22-16-8-5-13(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-ylphenyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 382.69 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7708017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).