2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide

C15H11ClN2O6 — CID 17310210

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11ClN2O6/c16-11-3-1-9(18(20)21)5-12(11)17-15(19)7-22-10-2-4-13-14(6-10)24-8-23-13/h1-6H,7-8H2,(H,17,19)
InChIKeyQJEDHTBOTSFGAL-UHFFFAOYSA-N
MW350.71 g/mol
LogP2.99
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide (PubChem CID 17310210) has the molecular formula C15H11ClN2O6 and a molecular weight of 350.71 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
PubChem CID17310210
Molecular FormulaC15H11ClN2O6
Molecular Weight350.71 g/mol
Exact Mass350.03
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11ClN2O6/c16-11-3-1-9(18(20)21)5-12(11)17-15(19)7-22-10-2-4-13-14(6-10)24-8-23-13/h1-6H,7-8H2,(H,17,19)
InChIKeyQJEDHTBOTSFGAL-UHFFFAOYSA-N
XLogP2.99
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17310218
N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705146
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide
CID 7894399
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 8012012
2-(1,3-benzodioxol-5-yloxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4112461
2-(1,3-benzodioxol-5-yloxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 136864514
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide
CID 23770306
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)prop-2-enamide
CID 873639

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide (CID 17310210) is 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide?
The InChIKey is QJEDHTBOTSFGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O6/c16-11-3-1-9(18(20)21)5-12(11)17-15(19)7-22-10-2-4-13-14(6-10)24-8-23-13/h1-6H,7-8H2,(H,17,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide has a molecular weight of 350.71 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide is sourced from PubChem (CID 17310210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).