4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide

C13H18ClN3O4 — CID 107718607

IUPAC4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCOc1c(Cl)cccc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C13H18ClN3O4/c1-3-16-13(2,12(15)18)7-8-21-11-9(14)5-4-6-10(11)17(19)20/h4-6,16H,3,7-8H2,1-2H3,(H2,15,18)
InChIKeyGCXIVQNAALLCET-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.87
Rot. Bonds8

About 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide

4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide (PubChem CID 107718607) has the molecular formula C13H18ClN3O4 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide.

Molecular Properties

Compound Name4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide
PubChem CID107718607
Molecular FormulaC13H18ClN3O4
Molecular Weight315.76 g/mol
Exact Mass315.10
IUPAC Name4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCOc1c(Cl)cccc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C13H18ClN3O4/c1-3-16-13(2,12(15)18)7-8-21-11-9(14)5-4-6-10(11)17(19)20/h4-6,16H,3,7-8H2,1-2H3,(H2,15,18)
InChIKeyGCXIVQNAALLCET-UHFFFAOYSA-N
XLogP1.87
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.87
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-methyl-2-(methylamino)butanamide
CID 107718608
2-amino-4-(2-chloro-6-nitrophenoxy)-2-methylbutanoic acid
CID 107718459
4-(2-chloro-6-nitrophenoxy)-2-methyl-2-(propylamino)butanenitrile
CID 107718329
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
3-[(2-chloro-6-nitrophenoxy)methyl]pentan-3-ol
CID 103931748
3-(2-chloro-6-nitrophenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 107718559
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
1-(2-chloro-6-nitrophenoxy)-3-methylpentan-2-one
CID 103864101
methyl 2-amino-3-(2-chloro-6-nitrophenoxy)-2-cyclopropylpropanoate
CID 107718375
3-(2,6-dibromo-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide
CID 62100197
6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712487

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide?
The IUPAC name of 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide (CID 107718607) is 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide.
What is the SMILES notation for 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide?
The canonical SMILES for 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide is CCNC(C)(CCOc1c(Cl)cccc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide?
The InChIKey is GCXIVQNAALLCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4/c1-3-16-13(2,12(15)18)7-8-21-11-9(14)5-4-6-10(11)17(19)20/h4-6,16H,3,7-8H2,1-2H3,(H2,15,18).
What are the key properties of 4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide?
4-(2-chloro-6-nitrophenoxy)-2-(ethylamino)-2-methylbutanamide has a molecular weight of 315.76 g/mol, XLogP of 1.87, 8 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-(ethylamino)-2-methylbutanamide is sourced from PubChem (CID 107718607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).