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

C20H24BrNO2 — CID 46761764

IUPAC2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NCc2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C20H24BrNO2/c1-4-15(3)17-9-10-19(18(21)11-17)24-13-20(23)22-12-16-7-5-14(2)6-8-16/h5-11,15H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyLTYZVAQCWLSGQD-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.97
Rot. Bonds7

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

2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 46761764) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID46761764
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NCc2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C20H24BrNO2/c1-4-15(3)17-9-10-19(18(21)11-17)24-13-20(23)22-12-16-7-5-14(2)6-8-16/h5-11,15H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyLTYZVAQCWLSGQD-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
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-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764494
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 17189667
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 17189496

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 46761764) is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide is CCC(C)c1ccc(OCC(=O)NCc2ccc(C)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LTYZVAQCWLSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-4-15(3)17-9-10-19(18(21)11-17)24-13-20(23)22-12-16-7-5-14(2)6-8-16/h5-11,15H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 390.32 g/mol, XLogP of 4.97, 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46761764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).