N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

C15H12Cl2N2O5 — CID 78765457

IUPACN-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O5/c1-23-10-3-5-14(13(7-10)19(21)22)24-8-15(20)18-12-4-2-9(16)6-11(12)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyFLXBYPPHWLBAEL-UHFFFAOYSA-N
MW371.18 g/mol
LogP3.93
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 78765457) has the molecular formula C15H12Cl2N2O5 and a molecular weight of 371.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID78765457
Molecular FormulaC15H12Cl2N2O5
Molecular Weight371.18 g/mol
Exact Mass370.01
IUPAC NameN-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O5/c1-23-10-3-5-14(13(7-10)19(21)22)24-8-15(20)18-12-4-2-9(16)6-11(12)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyFLXBYPPHWLBAEL-UHFFFAOYSA-N
XLogP3.93
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 53.93
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

2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-(4-methoxy-2-nitrophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3953912
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 78765457) is N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is FLXBYPPHWLBAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O5/c1-23-10-3-5-14(13(7-10)19(21)22)24-8-15(20)18-12-4-2-9(16)6-11(12)17/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 371.18 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 78765457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).