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

C15H13ClN2O4 — CID 2500579

IUPACN-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H13ClN2O4/c1-10-6-7-12(11(16)8-10)17-15(19)9-22-14-5-3-2-4-13(14)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyCNPKLORVKNJQJH-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.57
Rot. Bonds5

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

N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 2500579) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID2500579
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H13ClN2O4/c1-10-6-7-12(11(16)8-10)17-15(19)9-22-14-5-3-2-4-13(14)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyCNPKLORVKNJQJH-UHFFFAOYSA-N
XLogP3.57
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.57
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

N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626827
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560744
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide (CID 2500579) is N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is CNPKLORVKNJQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-10-6-7-12(11(16)8-10)17-15(19)9-22-14-5-3-2-4-13(14)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 320.73 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2500579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).