N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C19H22BrNO2 — CID 1325958

IUPACN-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C19H22BrNO2/c1-12(2)16-7-5-13(3)9-18(16)23-11-19(22)21-15-6-8-17(20)14(4)10-15/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyCAJDUQSZRTZLOO-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.21
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 1325958) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID1325958
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C19H22BrNO2/c1-12(2)16-7-5-13(3)9-18(16)23-11-19(22)21-15-6-8-17(20)14(4)10-15/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyCAJDUQSZRTZLOO-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 134019481
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26907016
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 1325958) is N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is CAJDUQSZRTZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-12(2)16-7-5-13(3)9-18(16)23-11-19(22)21-15-6-8-17(20)14(4)10-15/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 376.29 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1325958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).