N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H17BrClNO2 — CID 104723917

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(Br)c(NC(=O)COC(C)(C)C)cc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-8-5-9(14)11(6-10(8)15)16-12(17)7-18-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyZHFBEYYJQJTIRS-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.16
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 104723917) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID104723917
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(Br)c(NC(=O)COC(C)(C)C)cc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-8-5-9(14)11(6-10(8)15)16-12(17)7-18-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyZHFBEYYJQJTIRS-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104723649
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
tert-butyl 2-(2-bromo-5-chloro-4-methylanilino)acetate
CID 113445471
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604492
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
CID 113445483
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 104723917) is N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1cc(Br)c(NC(=O)COC(C)(C)C)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ZHFBEYYJQJTIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-8-5-9(14)11(6-10(8)15)16-12(17)7-18-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 334.64 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 104723917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).