2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide

C17H17ClN2O5 — CID 2959206

IUPAC2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17ClN2O5/c1-11(12-3-6-14(24-2)7-4-12)19-17(21)10-25-16-8-5-13(18)9-15(16)20(22)23/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeySDIVMSVENIHGNL-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.51
Rot. Bonds7

About 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide

2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2959206) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2959206
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17ClN2O5/c1-11(12-3-6-14(24-2)7-4-12)19-17(21)10-25-16-8-5-13(18)9-15(16)20(22)23/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeySDIVMSVENIHGNL-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 1185801
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 164946774
N-[1-(4-chlorophenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 60356606
2-(4-chloro-2-nitrophenoxy)-N-cyclohexylacetamide
CID 973131
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 977997
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1189117
2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 2792230
2-(4-chloro-2-nitrophenoxy)-N-[(2,5-dimethylphenyl)(phenyl)methyl]acetamide
CID 2958439
2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 3995786
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 168296086
N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 887498
2-(5-fluoro-2-nitrophenoxy)-N-(3-phenylpropyl)acetamide
CID 2569169

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide (CID 2959206) is 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is SDIVMSVENIHGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-11(12-3-6-14(24-2)7-4-12)19-17(21)10-25-16-8-5-13(18)9-15(16)20(22)23/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 364.79 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2959206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).