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

C15H12Cl2N2O4 — CID 2908402

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N2O4/c1-9-6-14(19(21)22)12(17)7-13(9)18-15(20)8-23-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20)
InChIKeyAMEKAECYSGVDGH-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.23
Rot. Bonds5

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

N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 2908402) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
PubChem CID2908402
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N2O4/c1-9-6-14(19(21)22)12(17)7-13(9)18-15(20)8-23-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20)
InChIKeyAMEKAECYSGVDGH-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

N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
CID 17102201
2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 19629255
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide
CID 2909827
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide
CID 4535018
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8709034

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide (CID 2908402) is N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is AMEKAECYSGVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9-6-14(19(21)22)12(17)7-13(9)18-15(20)8-23-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)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 N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2908402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).