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

C19H21BrClNO2 — CID 7959173

IUPACN-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)c(C)c2)c(C(C)C)cc1Cl
InChIInChI=1S/C19H21BrClNO2/c1-11(2)15-9-17(21)13(4)8-18(15)24-10-19(23)22-14-5-6-16(20)12(3)7-14/h5-9,11H,10H2,1-4H3,(H,22,23)
InChIKeyIIZIIQPITXPIJH-UHFFFAOYSA-N
MW410.74 g/mol
LogP5.86
Rot. Bonds5

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

N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 7959173) has the molecular formula C19H21BrClNO2 and a molecular weight of 410.74 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID7959173
Molecular FormulaC19H21BrClNO2
Molecular Weight410.74 g/mol
Exact Mass409.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)c(C)c2)c(C(C)C)cc1Cl
InChIInChI=1S/C19H21BrClNO2/c1-11(2)15-9-17(21)13(4)8-18(15)24-10-19(23)22-14-5-6-16(20)12(3)7-14/h5-9,11H,10H2,1-4H3,(H,22,23)
InChIKeyIIZIIQPITXPIJH-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 31060775
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 3280740
methyl 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1013614
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4801402
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 7973800
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
CID 19202062
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201698
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 35342822
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380158
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 75403613

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide (CID 7959173) is N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccc(Br)c(C)c2)c(C(C)C)cc1Cl.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is IIZIIQPITXPIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO2/c1-11(2)15-9-17(21)13(4)8-18(15)24-10-19(23)22-14-5-6-16(20)12(3)7-14/h5-9,11H,10H2,1-4H3,(H,22,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 410.74 g/mol, XLogP of 5.86, 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-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7959173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).