N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide

C15H13ClN2O4 — CID 725803

IUPACN-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O4/c1-10-2-3-11(16)8-14(10)17-15(19)9-22-13-6-4-12(5-7-13)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyBVMVBOQJMOVYKV-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.57
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide

N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 725803) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID725803
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O4/c1-10-2-3-11(16)8-14(10)17-15(19)9-22-13-6-4-12(5-7-13)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyBVMVBOQJMOVYKV-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide (CID 725803) is N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide is Cc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is BVMVBOQJMOVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-10-2-3-11(16)8-14(10)17-15(19)9-22-13-6-4-12(5-7-13)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-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-(5-chloro-2-methylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 725803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).