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

C16H15ClN2O5 — CID 17101974

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5/c1-10-7-11(17)3-5-14(10)24-9-16(20)18-12-4-6-15(23-2)13(8-12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyOCEFTDNJWKYHQK-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.58
Rot. Bonds6

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

2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide (PubChem CID 17101974) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
PubChem CID17101974
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5/c1-10-7-11(17)3-5-14(10)24-9-16(20)18-12-4-6-15(23-2)13(8-12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyOCEFTDNJWKYHQK-UHFFFAOYSA-N
XLogP3.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8709034
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
CID 108790150
N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17101923
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 9212730

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide (CID 17101974) is 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide is COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide?
The InChIKey is OCEFTDNJWKYHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10-7-11(17)3-5-14(10)24-9-16(20)18-12-4-6-15(23-2)13(8-12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide has a molecular weight of 350.76 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide is sourced from PubChem (CID 17101974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).