N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide

C16H15ClN2O4 — CID 2909827

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C16H15ClN2O4/c1-10-4-3-5-12(6-10)23-9-16(20)18-14-8-13(17)15(19(21)22)7-11(14)2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyKAULGFHQUJOEPY-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.88
Rot. Bonds5

About N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide

N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide (PubChem CID 2909827) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide
PubChem CID2909827
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C16H15ClN2O4/c1-10-4-3-5-12(6-10)23-9-16(20)18-14-8-13(17)15(19(21)22)7-11(14)2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyKAULGFHQUJOEPY-UHFFFAOYSA-N
XLogP3.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.88
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-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
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
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853375
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7804021
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide (CID 2909827) is N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is KAULGFHQUJOEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-4-3-5-12(6-10)23-9-16(20)18-14-8-13(17)15(19(21)22)7-11(14)2/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 334.76 g/mol, XLogP of 3.88, 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 2909827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).