N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide

C11H11BrN2O4 — CID 47439210

IUPACN-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11BrN2O4/c1-8(12)6-13-11(15)7-18-10-5-3-2-4-9(10)14(16)17/h2-5H,1,6-7H2,(H,13,15)
InChIKeyKLJNRGDXWXJXLP-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.00
Rot. Bonds6

About N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide

N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 47439210) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
PubChem CID47439210
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC NameN-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11BrN2O4/c1-8(12)6-13-11(15)7-18-10-5-3-2-4-9(10)14(16)17/h2-5H,1,6-7H2,(H,13,15)
InChIKeyKLJNRGDXWXJXLP-UHFFFAOYSA-N
XLogP2.00
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.00
H-Bond Donors ≤ 51
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

N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 115700067
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 115668936
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide (CID 47439210) is N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide is C=C(Br)CNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is KLJNRGDXWXJXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c1-8(12)6-13-11(15)7-18-10-5-3-2-4-9(10)14(16)17/h2-5H,1,6-7H2,(H,13,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide?
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 315.12 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 47439210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).