2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide

C16H15Cl2N3O4 — CID 9308338

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15Cl2N3O4/c17-11-1-6-15(14(18)9-11)25-10-16(22)20-8-7-19-12-2-4-13(5-3-12)21(23)24/h1-6,9,19H,7-8,10H2,(H,20,22)
InChIKeyYKEUKRGVLIUBQA-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.51
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide (PubChem CID 9308338) has the molecular formula C16H15Cl2N3O4 and a molecular weight of 384.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
PubChem CID9308338
Molecular FormulaC16H15Cl2N3O4
Molecular Weight384.22 g/mol
Exact Mass383.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15Cl2N3O4/c17-11-1-6-15(14(18)9-11)25-10-16(22)20-8-7-19-12-2-4-13(5-3-12)21(23)24/h1-6,9,19H,7-8,10H2,(H,20,22)
InChIKeyYKEUKRGVLIUBQA-UHFFFAOYSA-N
XLogP3.51
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 8807870
[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203070
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8587696
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
6-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]hexanoic acid
CID 2311184
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide (CID 9308338) is 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
The InChIKey is YKEUKRGVLIUBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4/c17-11-1-6-15(14(18)9-11)25-10-16(22)20-8-7-19-12-2-4-13(5-3-12)21(23)24/h1-6,9,19H,7-8,10H2,(H,20,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide has a molecular weight of 384.22 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 9308338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).