2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide

C11H12Cl3NO2 — CID 100689633

IUPAC2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C
InChIInChI=1S/C11H12Cl3NO2/c1-3-17-9-5-4-8(6-7(9)2)15-10(16)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyNUWRFNMBQKLVOC-UHFFFAOYSA-N
MW296.58 g/mol
LogP3.70
Rot. Bonds3

About 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide

2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide (PubChem CID 100689633) has the molecular formula C11H12Cl3NO2 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
PubChem CID100689633
Molecular FormulaC11H12Cl3NO2
Molecular Weight296.58 g/mol
Exact Mass294.99
IUPAC Name2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C
InChIInChI=1S/C11H12Cl3NO2/c1-3-17-9-5-4-8(6-7(9)2)15-10(16)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyNUWRFNMBQKLVOC-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-butan-2-yloxy-3-methylphenyl)-2,2,2-trichloroacetamide
CID 133245821
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
N-(4-ethoxy-3-methylphenyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 86954121
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
CID 86950140
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 86880687

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide (CID 100689633) is 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide is CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C.
What is the InChIKey of 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide?
The InChIKey is NUWRFNMBQKLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2/c1-3-17-9-5-4-8(6-7(9)2)15-10(16)11(12,13)14/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide?
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide has a molecular weight of 296.58 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 100689633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).