2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

C18H19BrN2O4 — CID 19202524

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19BrN2O4/c1-11(2)14-9-13(19)5-7-17(14)25-10-18(22)20-15-6-4-12(3)8-16(15)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyCKQLJCFKHOAHIQ-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.81
Rot. Bonds6

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 19202524) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID19202524
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19BrN2O4/c1-11(2)14-9-13(19)5-7-17(14)25-10-18(22)20-15-6-4-12(3)8-16(15)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyCKQLJCFKHOAHIQ-UHFFFAOYSA-N
XLogP4.81
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 5013304
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 19202727
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (CID 19202524) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is CKQLJCFKHOAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-11(2)14-9-13(19)5-7-17(14)25-10-18(22)20-15-6-4-12(3)8-16(15)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 407.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 19202524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).