2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide

C19H21BrClNO2 — CID 17194226

IUPAC2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C19H21BrClNO2/c1-3-13(2)14-8-9-18(16(20)10-14)24-12-19(23)22-11-15-6-4-5-7-17(15)21/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyHWUXQWHADFBZBD-UHFFFAOYSA-N
MW410.74 g/mol
LogP5.31
Rot. Bonds7

About 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide

2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 17194226) has the molecular formula C19H21BrClNO2 and a molecular weight of 410.74 g/mol. Its IUPAC name is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID17194226
Molecular FormulaC19H21BrClNO2
Molecular Weight410.74 g/mol
Exact Mass409.04
IUPAC Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C19H21BrClNO2/c1-3-13(2)14-8-9-18(16(20)10-14)24-12-19(23)22-11-15-6-4-5-7-17(15)21/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyHWUXQWHADFBZBD-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 46761764
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126277429
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126383679
2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 46585246
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194203
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 17189667
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 17189754
2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17189623

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide (CID 17194226) is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide is CCC(C)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is HWUXQWHADFBZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO2/c1-3-13(2)14-8-9-18(16(20)10-14)24-12-19(23)22-11-15-6-4-5-7-17(15)21/h4-10,13H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide?
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 410.74 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 17194226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).