2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide

C12H16BrN3O4 — CID 65430197

IUPAC2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide
SMILESCC(CC(C)(N)C(N)=O)Oc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16BrN3O4/c1-7(6-12(2,15)11(14)17)20-10-4-3-8(13)5-9(10)16(18)19/h3-5,7H,6,15H2,1-2H3,(H2,14,17)
InChIKeyVEODWYYPFHFKJJ-UHFFFAOYSA-N
MW346.18 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide

2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide (PubChem CID 65430197) has the molecular formula C12H16BrN3O4 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide
PubChem CID65430197
Molecular FormulaC12H16BrN3O4
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide
SMILESCC(CC(C)(N)C(N)=O)Oc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16BrN3O4/c1-7(6-12(2,15)11(14)17)20-10-4-3-8(13)5-9(10)16(18)19/h3-5,7H,6,15H2,1-2H3,(H2,14,17)
InChIKeyVEODWYYPFHFKJJ-UHFFFAOYSA-N
XLogP1.72
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 51.72
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-methyl-2-(methylamino)propanamide
CID 65429457
3-(4-bromo-2-nitrophenoxy)-2,2-dimethylpropanoic acid
CID 79622372
methyl 2-(4-bromo-2-nitrophenoxy)but-3-enoate
CID 114242357
3-(4-bromo-2-nitrophenoxy)-4,4,4-trifluorobutanoic acid
CID 65429643
2-amino-4-(2-chloro-4-nitrophenoxy)-2-methylpentanoic acid
CID 64708987
2-[(4-bromo-2-nitrophenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372356
4-bromo-1-(2,2-dimethoxyethoxy)-2-nitrobenzene
CID 66221494
3-(4-bromo-2-nitroanilino)-2,2-dimethylpropanamide
CID 103620231
3-(4-bromo-2-nitrophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 65429816
(4-bromo-2-nitrophenyl) ethaneperoxoate
CID 87725155
4-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-nitrobenzene
CID 112695032

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide?
The IUPAC name of 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide (CID 65430197) is 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide.
What is the SMILES notation for 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide?
The canonical SMILES for 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide is CC(CC(C)(N)C(N)=O)Oc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide?
The InChIKey is VEODWYYPFHFKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O4/c1-7(6-12(2,15)11(14)17)20-10-4-3-8(13)5-9(10)16(18)19/h3-5,7H,6,15H2,1-2H3,(H2,14,17).
What are the key properties of 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide?
2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide has a molecular weight of 346.18 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromo-2-nitrophenoxy)-2-methylpentanamide is sourced from PubChem (CID 65430197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).