2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide

C10H10Cl3NO2 — CID 694771

IUPAC2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H10Cl3NO2/c1-16-8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyRGHIABQAGTVHJA-UHFFFAOYSA-N
MW282.55 g/mol
LogP2.68
Rot. Bonds3

About 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide

2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 694771) has the molecular formula C10H10Cl3NO2 and a molecular weight of 282.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID694771
Molecular FormulaC10H10Cl3NO2
Molecular Weight282.55 g/mol
Exact Mass280.98
IUPAC Name2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H10Cl3NO2/c1-16-8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyRGHIABQAGTVHJA-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide (CID 694771) is 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is RGHIABQAGTVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2/c1-16-8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide?
2,2,2-trichloro-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 282.55 g/mol, XLogP of 2.68, 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 694771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).