2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide

C17H17ClN2O5 — CID 46786988

IUPAC2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2cc(C)ccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-3-24-12-5-7-14(15(9-12)20(22)23)19-17(21)10-25-16-8-11(2)4-6-13(16)18/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyQIPCCKKEXYZXSA-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.97
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide (PubChem CID 46786988) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
PubChem CID46786988
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2cc(C)ccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-3-24-12-5-7-14(15(9-12)20(22)23)19-17(21)10-25-16-8-11(2)4-6-13(16)18/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyQIPCCKKEXYZXSA-UHFFFAOYSA-N
XLogP3.97
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
2-(2,5-dimethylphenyl)sulfanyl-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 35986495
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 18870056
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 41073202
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19202524

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide (CID 46786988) is 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide is CCOc1ccc(NC(=O)COc2cc(C)ccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The InChIKey is QIPCCKKEXYZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-3-24-12-5-7-14(15(9-12)20(22)23)19-17(21)10-25-16-8-11(2)4-6-13(16)18/h4-9H,3,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide has a molecular weight of 364.79 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 46786988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).