4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide

C12H16ClN3O4 — CID 107718608

IUPAC4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCOc1c(Cl)cccc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C12H16ClN3O4/c1-12(15-2,11(14)17)6-7-20-10-8(13)4-3-5-9(10)16(18)19/h3-5,15H,6-7H2,1-2H3,(H2,14,17)
InChIKeyAAMIGVSVKZOQFK-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.48
Rot. Bonds7

About 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide

4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide (PubChem CID 107718608) has the molecular formula C12H16ClN3O4 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide
PubChem CID107718608
Molecular FormulaC12H16ClN3O4
Molecular Weight301.73 g/mol
Exact Mass301.08
IUPAC Name4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCOc1c(Cl)cccc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C12H16ClN3O4/c1-12(15-2,11(14)17)6-7-20-10-8(13)4-3-5-9(10)16(18)19/h3-5,15H,6-7H2,1-2H3,(H2,14,17)
InChIKeyAAMIGVSVKZOQFK-UHFFFAOYSA-N
XLogP1.48
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.48
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

4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide
CID 107718607
2-amino-4-(2-chloro-6-nitrophenoxy)-2-methylbutanoic acid
CID 107718459
4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(propylamino)butanenitrile
CID 107718329
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
3-(2-chloro-6-nitrophenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 107718559
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
3-[(2-chloro-6-nitrophenoxy)methyl]pentan-3-ol
CID 103931748
methyl 2-amino-3-(2-chloro-6-nitrophenoxy)-2-cyclopropylpropanoate
CID 107718375
methyl 2-(2-chloro-6-nitrophenoxy)propanoate
CID 107716272
2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
CID 7789050
3-(2-fluoro-6-nitrophenoxy)-2-methyl-2-(methylamino)propanoic acid
CID 104832396

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide?
The IUPAC name of 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide (CID 107718608) is 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide.
What is the SMILES notation for 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide?
The canonical SMILES for 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide is CNC(C)(CCOc1c(Cl)cccc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide?
The InChIKey is AAMIGVSVKZOQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4/c1-12(15-2,11(14)17)6-7-20-10-8(13)4-3-5-9(10)16(18)19/h3-5,15H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide?
4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide has a molecular weight of 301.73 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 107718608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).