3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide

C11H14BrN3O4 — CID 65429457

IUPAC3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(COc1ccc(Br)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H14BrN3O4/c1-11(14-2,10(13)16)6-19-9-4-3-7(12)5-8(9)15(17)18/h3-5,14H,6H2,1-2H3,(H2,13,16)
InChIKeyWACOJFBMIJGAIB-UHFFFAOYSA-N
MW332.15 g/mol
LogP1.20
Rot. Bonds6

About 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide

3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide (PubChem CID 65429457) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide
PubChem CID65429457
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(COc1ccc(Br)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H14BrN3O4/c1-11(14-2,10(13)16)6-19-9-4-3-7(12)5-8(9)15(17)18/h3-5,14H,6H2,1-2H3,(H2,13,16)
InChIKeyWACOJFBMIJGAIB-UHFFFAOYSA-N
XLogP1.20
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(4-bromo-2-nitrophenoxy)-2-methylpropan-2-amine
CID 64538603
3-(4-bromo-2-nitrophenoxy)-2,2-dimethylpropanoic acid
CID 79622372
2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide
CID 65430197
6-(4-bromo-2-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712456
4-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-nitrobenzene
CID 112695032
ethyl 2-[(4-bromo-2-nitrophenoxy)methyl]prop-2-enoate
CID 65430147
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
2-[(4-bromo-2-nitrophenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372356
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
4-bromo-1-(2,2-dimethoxyethoxy)-2-nitrobenzene
CID 66221494
4-(2-amino-2-methylpropoxy)-3-nitrobenzamide
CID 64537194
4-bromo-1-[(4-tert-butylphenyl)methoxy]-2-nitrobenzene
CID 59820827

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide (CID 65429457) is 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide is CNC(C)(COc1ccc(Br)cc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide?
The InChIKey is WACOJFBMIJGAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c1-11(14-2,10(13)16)6-19-9-4-3-7(12)5-8(9)15(17)18/h3-5,14H,6H2,1-2H3,(H2,13,16).
What are the key properties of 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide?
3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide has a molecular weight of 332.15 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-nitrophenoxy)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 65429457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).