3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide

C12H15Br2N3O4 — CID 62100197

IUPAC3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O
InChIInChI=1S/C12H15Br2N3O4/c1-3-16-12(2,11(15)18)6-21-10-8(13)4-7(17(19)20)5-9(10)14/h4-5,16H,3,6H2,1-2H3,(H2,15,18)
InChIKeyIGKUYDGTSMORHY-UHFFFAOYSA-N
MW425.08 g/mol
LogP2.35
Rot. Bonds7

About 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide

3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide (PubChem CID 62100197) has the molecular formula C12H15Br2N3O4 and a molecular weight of 425.08 g/mol. Its IUPAC name is 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide
PubChem CID62100197
Molecular FormulaC12H15Br2N3O4
Molecular Weight425.08 g/mol
Exact Mass422.94
IUPAC Name3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O
InChIInChI=1S/C12H15Br2N3O4/c1-3-16-12(2,11(15)18)6-21-10-8(13)4-7(17(19)20)5-9(10)14/h4-5,16H,3,6H2,1-2H3,(H2,15,18)
InChIKeyIGKUYDGTSMORHY-UHFFFAOYSA-N
XLogP2.35
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.08
LogP ≤ 52.35
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-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylbutanenitrile
CID 62100027
2-amino-3-(2,6-dibromo-4-nitrophenoxy)-2-methylpropanenitrile
CID 62099516
2-amino-4-(2,6-dibromo-4-nitrophenoxy)-2-methylbutanoic acid
CID 62097654
N-tert-butyl-2-[(2,6-dibromo-4-nitrophenoxy)methyl]prop-2-en-1-amine
CID 103067153
4-(2-bromo-5-nitrophenoxy)-2-(ethylamino)-2-methylbutanoic acid
CID 103012700
3-(2,6-dibromo-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 62098666
3-(2,6-dibromo-4-nitrophenoxy)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 62099858
1,3-dibromo-2-(2,2-diethoxyethoxy)-5-nitrobenzene
CID 63629439
2-chloro-3-(2,6-dibromo-4-nitrophenoxy)propanoic acid
CID 113398047
4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
CID 55212631
4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide
CID 107718607
methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate
CID 91674415

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide (CID 62100197) is 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O.
What is the InChIKey of 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is IGKUYDGTSMORHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3O4/c1-3-16-12(2,11(15)18)6-21-10-8(13)4-7(17(19)20)5-9(10)14/h4-5,16H,3,6H2,1-2H3,(H2,15,18).
What are the key properties of 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide?
3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 425.08 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62100197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).