2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide

C10H11ClN2O4 — CID 18074297

IUPAC2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-2-12-10(14)6-17-9-4-3-7(13(15)16)5-8(9)11/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyQLLGSTDLUNXTHM-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.76
Rot. Bonds5

About 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide

2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide (PubChem CID 18074297) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
PubChem CID18074297
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-2-12-10(14)6-17-9-4-3-7(13(15)16)5-8(9)11/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyQLLGSTDLUNXTHM-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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'}

Analyze 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide
CID 115774349
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
N-ethyl-2-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]acetamide
CID 104890441
6-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]hexanoic acid
CID 2311184
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8587785
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 7509223
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide (CID 18074297) is 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide?
The InChIKey is QLLGSTDLUNXTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-2-12-10(14)6-17-9-4-3-7(13(15)16)5-8(9)11/h3-5H,2,6H2,1H3,(H,12,14).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide?
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide has a molecular weight of 258.66 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide is sourced from PubChem (CID 18074297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).