2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide

C14H10Cl2N2O4 — CID 7991150

IUPAC2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2O4/c15-9-1-4-11(5-2-9)17-14(19)8-22-13-6-3-10(16)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyCOASOHMRZUSDJS-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.92
Rot. Bonds5

About 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide

2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide (PubChem CID 7991150) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
PubChem CID7991150
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2O4/c15-9-1-4-11(5-2-9)17-14(19)8-22-13-6-3-10(16)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyCOASOHMRZUSDJS-UHFFFAOYSA-N
XLogP3.92
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,5-dimethylphenyl)acetamide
CID 7991036
2-(4-chloro-2-nitrophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 7979740
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7979886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide (CID 7991150) is 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide is O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide?
The InChIKey is COASOHMRZUSDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-1-4-11(5-2-9)17-14(19)8-22-13-6-3-10(16)7-12(13)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide?
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide has a molecular weight of 341.15 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 7991150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).