2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide

C17H17ClN2O4 — CID 8709034

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C17H17ClN2O4/c1-10-7-14(15(20(22)23)8-11(10)2)19-17(21)9-24-16-5-4-13(18)6-12(16)3/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyUYBWVIVWUVUCMO-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide (PubChem CID 8709034) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
PubChem CID8709034
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C17H17ClN2O4/c1-10-7-14(15(20(22)23)8-11(10)2)19-17(21)9-24-16-5-4-13(18)6-12(16)3/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyUYBWVIVWUVUCMO-UHFFFAOYSA-N
XLogP4.19
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.19
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-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 7466857
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906593
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7804021
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide (CID 8709034) is 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide is Cc1cc(NC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The InChIKey is UYBWVIVWUVUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-7-14(15(20(22)23)8-11(10)2)19-17(21)9-24-16-5-4-13(18)6-12(16)3/h4-8H,9H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide has a molecular weight of 348.79 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 8709034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).