N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide

C10H11ClN2O4 — CID 2947175

IUPACN-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-2-17-6-10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyOFXJFUHBRWWAOP-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.22
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide

N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide (PubChem CID 2947175) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide
PubChem CID2947175
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-2-17-6-10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyOFXJFUHBRWWAOP-UHFFFAOYSA-N
XLogP2.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide (CID 2947175) is N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide is CCOCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide?
The InChIKey is OFXJFUHBRWWAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-2-17-6-10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-5H,2,6H2,1H3,(H,12,14).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide?
N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide has a molecular weight of 258.66 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-ethoxyacetamide is sourced from PubChem (CID 2947175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).