2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C18H19ClN2O6 — CID 8587894

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H19ClN2O6/c1-2-25-14-4-6-15(7-5-14)26-10-9-20-18(22)12-27-17-8-3-13(21(23)24)11-16(17)19/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyVUDVLYIVHJRWEB-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.22
Rot. Bonds10

About 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 8587894) has the molecular formula C18H19ClN2O6 and a molecular weight of 394.81 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID8587894
Molecular FormulaC18H19ClN2O6
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H19ClN2O6/c1-2-25-14-4-6-15(7-5-14)26-10-9-20-18(22)12-27-17-8-3-13(21(23)24)11-16(17)19/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyVUDVLYIVHJRWEB-UHFFFAOYSA-N
XLogP3.22
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide
CID 9022493
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
6-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]hexanoic acid
CID 2311184
N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739932
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8587785
2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308338

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 8587894) is 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is VUDVLYIVHJRWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6/c1-2-25-14-4-6-15(7-5-14)26-10-9-20-18(22)12-27-17-8-3-13(21(23)24)11-16(17)19/h3-8,11H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 394.81 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 8587894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).