2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide

C11H13BrN2O4 — CID 103013438

IUPAC2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cc([N+](=O)[O-])ccc1Br)C(=O)N(C)C
InChIInChI=1S/C11H13BrN2O4/c1-7(11(15)13(2)3)18-10-6-8(14(16)17)4-5-9(10)12/h4-7H,1-3H3
InChIKeyUQLKVDDOMWEXIS-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide

2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide (PubChem CID 103013438) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide
PubChem CID103013438
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cc([N+](=O)[O-])ccc1Br)C(=O)N(C)C
InChIInChI=1S/C11H13BrN2O4/c1-7(11(15)13(2)3)18-10-6-8(14(16)17)4-5-9(10)12/h4-7H,1-3H3
InChIKeyUQLKVDDOMWEXIS-UHFFFAOYSA-N
XLogP2.21
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid
CID 103338288
3-(2-bromo-5-nitrophenoxy)butan-2-one
CID 103011057
2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide
CID 116541587
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N,N-dimethylpropanamide
CID 116542020
2-(2-bromo-5-nitrophenoxy)-N-tert-butylpropanamide
CID 103013432
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
2-(2-bromo-5-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 103013613
2-(2-bromo-5-nitrophenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 103011080
1-(2-bromo-5-nitrophenoxy)propan-2-ol
CID 103011922
4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid
CID 43216805
N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43277702
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
CID 18980113

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide (CID 103013438) is 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide is CC(Oc1cc([N+](=O)[O-])ccc1Br)C(=O)N(C)C.
What is the InChIKey of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide?
The InChIKey is UQLKVDDOMWEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c1-7(11(15)13(2)3)18-10-6-8(14(16)17)4-5-9(10)12/h4-7H,1-3H3.
What are the key properties of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide?
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide has a molecular weight of 317.14 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 103013438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).