2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide

C10H10Cl3NO2 — CID 3499953

IUPAC2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(C)ccc1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NO2/c1-6-3-4-7(8(5-6)16-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyJIFSTOMKKJSRAU-UHFFFAOYSA-N
MW282.55 g/mol
LogP3.31
Rot. Bonds2

About 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide

2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide (PubChem CID 3499953) has the molecular formula C10H10Cl3NO2 and a molecular weight of 282.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
PubChem CID3499953
Molecular FormulaC10H10Cl3NO2
Molecular Weight282.55 g/mol
Exact Mass280.98
IUPAC Name2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(C)ccc1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NO2/c1-6-3-4-7(8(5-6)16-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyJIFSTOMKKJSRAU-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
CID 79805209
N-(2-methoxy-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198711
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
CID 1298914
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
(2R)-2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbutanamide
CID 7079973
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide (CID 3499953) is 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide is COc1cc(C)ccc1NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide?
The InChIKey is JIFSTOMKKJSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2/c1-6-3-4-7(8(5-6)16-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide?
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide has a molecular weight of 282.55 g/mol, XLogP of 3.31, 2 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-(2-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 3499953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).