2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide

C15H12Cl2N2O4 — CID 23770306

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-9-6-11(3-4-12(9)16)23-8-15(20)18-14-5-2-10(19(21)22)7-13(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyHBXDZXOHCYMEKE-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.23
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide (PubChem CID 23770306) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide
PubChem CID23770306
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-9-6-11(3-4-12(9)16)23-8-15(20)18-14-5-2-10(19(21)22)7-13(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyHBXDZXOHCYMEKE-UHFFFAOYSA-N
XLogP4.23
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.23
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-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide
CID 4047149
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844670
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 8015310

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide (CID 23770306) is 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide?
The InChIKey is HBXDZXOHCYMEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9-6-11(3-4-12(9)16)23-8-15(20)18-14-5-2-10(19(21)22)7-13(14)17/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide has a molecular weight of 355.18 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 23770306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).