N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

C15H13ClN2O5 — CID 7473683

IUPACN-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O5/c1-22-12-5-6-14(13(8-12)18(20)21)23-9-15(19)17-11-4-2-3-10(16)7-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyCLDJAQQYPXZFTB-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.27
Rot. Bonds6

About N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 7473683) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID7473683
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC NameN-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O5/c1-22-12-5-6-14(13(8-12)18(20)21)23-9-15(19)17-11-4-2-3-10(16)7-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyCLDJAQQYPXZFTB-UHFFFAOYSA-N
XLogP3.27
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 53.27
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-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 2373932
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 7473683) is N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is COc1ccc(OCC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is CLDJAQQYPXZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c1-22-12-5-6-14(13(8-12)18(20)21)23-9-15(19)17-11-4-2-3-10(16)7-11/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 336.73 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7473683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).