N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H15BrN2O4 — CID 112604592

IUPACN-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15BrN2O4/c1-12(2,3)19-7-11(16)14-9-5-4-8(13)6-10(9)15(17)18/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeySXZVBFMWUFSCHG-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.11
Rot. Bonds4

About N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604592) has the molecular formula C12H15BrN2O4 and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604592
Molecular FormulaC12H15BrN2O4
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC NameN-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15BrN2O4/c1-12(2,3)19-7-11(16)14-9-5-4-8(13)6-10(9)15(17)18/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeySXZVBFMWUFSCHG-UHFFFAOYSA-N
XLogP3.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.11
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

N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
N-(3-bromo-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605620
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
CID 75498719
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605418
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
CID 60860936
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
tert-butyl N-[2-(4-bromo-2-nitroanilino)ethyl]carbamate
CID 67293348
(4-bromo-2-nitrophenyl)urea
CID 54074030

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604592) is N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is SXZVBFMWUFSCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4/c1-12(2,3)19-7-11(16)14-9-5-4-8(13)6-10(9)15(17)18/h4-6H,7H2,1-3H3,(H,14,16).
What are the key properties of N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 331.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).