2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide

C15H10ClN3O4 — CID 7991024

IUPAC2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H10ClN3O4/c16-11-4-5-14(13(7-11)19(21)22)23-9-15(20)18-12-3-1-2-10(6-12)8-17/h1-7H,9H2,(H,18,20)
InChIKeyZUYVNCYAZYNCCQ-UHFFFAOYSA-N
MW331.72 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide

2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide (PubChem CID 7991024) has the molecular formula C15H10ClN3O4 and a molecular weight of 331.72 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
PubChem CID7991024
Molecular FormulaC15H10ClN3O4
Molecular Weight331.72 g/mol
Exact Mass331.04
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H10ClN3O4/c16-11-4-5-14(13(7-11)19(21)22)23-9-15(20)18-12-3-1-2-10(6-12)8-17/h1-7H,9H2,(H,18,20)
InChIKeyZUYVNCYAZYNCCQ-UHFFFAOYSA-N
XLogP3.14
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 53.14
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-(4-chlorophenyl)acetamide
CID 7991150
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
2-(4-chloro-2-nitrophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 7979740
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
3-[3-(4-chloro-2-nitrophenoxy)propoxy]benzonitrile
CID 112824321
2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4845177
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
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-(2-ethyl-6-methylphenyl)acetamide
CID 7979886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide (CID 7991024) is 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide?
The InChIKey is ZUYVNCYAZYNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4/c16-11-4-5-14(13(7-11)19(21)22)23-9-15(20)18-12-3-1-2-10(6-12)8-17/h1-7H,9H2,(H,18,20).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide?
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide has a molecular weight of 331.72 g/mol, XLogP of 3.14, 5 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-(3-cyanophenyl)acetamide is sourced from PubChem (CID 7991024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).