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

C17H17ClN2O4 — CID 17102201

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C17H17ClN2O4/c1-3-12-4-6-13(7-5-12)24-10-17(21)19-15-9-14(18)16(20(22)23)8-11(15)2/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyFFGMEMZOMZPTOV-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.14
Rot. Bonds6

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

N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide (PubChem CID 17102201) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
PubChem CID17102201
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C17H17ClN2O4/c1-3-12-4-6-13(7-5-12)24-10-17(21)19-15-9-14(18)16(20(22)23)8-11(15)2/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyFFGMEMZOMZPTOV-UHFFFAOYSA-N
XLogP4.14
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.14
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-chlorophenoxy)acetamide
CID 2908402
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
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844670
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 17102172

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide (CID 17102201) is N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is FFGMEMZOMZPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-12-4-6-13(7-5-12)24-10-17(21)19-15-9-14(18)16(20(22)23)8-11(15)2/h4-9H,3,10H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 348.79 g/mol, XLogP of 4.14, 6 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-ethylphenoxy)acetamide is sourced from PubChem (CID 17102201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).