2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

C16H15ClN2O4 — CID 720864

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClN2O4/c1-10-3-5-13(19(21)22)8-14(10)18-16(20)9-23-15-6-4-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyGQPQGIISWXYUEV-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 720864) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID720864
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClN2O4/c1-10-3-5-13(19(21)22)8-14(10)18-16(20)9-23-15-6-4-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyGQPQGIISWXYUEV-UHFFFAOYSA-N
XLogP3.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.88
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-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8709034
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
CID 8716261
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (CID 720864) is 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is GQPQGIISWXYUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-3-5-13(19(21)22)8-14(10)18-16(20)9-23-15-6-4-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 334.76 g/mol, XLogP of 3.88, 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-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 720864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).