2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide

C19H21BrN2O4 — CID 17051590

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H21BrN2O4/c1-12-15(6-5-7-16(12)22(24)25)21-18(23)11-26-17-9-8-13(20)10-14(17)19(2,3)4/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyVPDMBCGEQWYYKM-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.98
Rot. Bonds5

About 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 17051590) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID17051590
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H21BrN2O4/c1-12-15(6-5-7-16(12)22(24)25)21-18(23)11-26-17-9-8-13(20)10-14(17)19(2,3)4/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyVPDMBCGEQWYYKM-UHFFFAOYSA-N
XLogP4.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.98
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-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
4-[2-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17051812
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1184481
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19189609
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395885

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide (CID 17051590) is 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is VPDMBCGEQWYYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-12-15(6-5-7-16(12)22(24)25)21-18(23)11-26-17-9-8-13(20)10-14(17)19(2,3)4/h5-10H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 421.29 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 17051590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).