N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide

C17H16Cl3NO3 — CID 112779333

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCOc1cccc(CN(C)C(=O)COc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl3NO3/c1-21(9-11-4-3-5-12(6-11)23-2)17(22)10-24-16-8-14(19)13(18)7-15(16)20/h3-8H,9-10H2,1-2H3
InChIKeyVDFOYXPQMVLSQQ-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.69
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide

N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 112779333) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID112779333
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCOc1cccc(CN(C)C(=O)COc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl3NO3/c1-21(9-11-4-3-5-12(6-11)23-2)17(22)10-24-16-8-14(19)13(18)7-15(16)20/h3-8H,9-10H2,1-2H3
InChIKeyVDFOYXPQMVLSQQ-UHFFFAOYSA-N
XLogP4.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112786345
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 8873483
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
N-[(3,4-dichlorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199652
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55764756
2-(2-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112778891
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112795602
N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 60652730

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide (CID 112779333) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide is COc1cccc(CN(C)C(=O)COc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is VDFOYXPQMVLSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c1-21(9-11-4-3-5-12(6-11)23-2)17(22)10-24-16-8-14(19)13(18)7-15(16)20/h3-8H,9-10H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 388.68 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 112779333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).