N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide

C17H15Cl4NO3 — CID 45051439

IUPACN-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl4NO3/c1-24-15-3-2-10(6-12(15)19)4-5-22-16(23)9-25-17-13(20)7-11(18)8-14(17)21/h2-3,6-8H,4-5,9H2,1H3,(H,22,23)
InChIKeyHZPHMSKINSIBRP-UHFFFAOYSA-N
MW423.12 g/mol
LogP5.05
Rot. Bonds7

About N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide

N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 45051439) has the molecular formula C17H15Cl4NO3 and a molecular weight of 423.12 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID45051439
Molecular FormulaC17H15Cl4NO3
Molecular Weight423.12 g/mol
Exact Mass420.98
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl4NO3/c1-24-15-3-2-10(6-12(15)19)4-5-22-16(23)9-25-17-13(20)7-11(18)8-14(17)21/h2-3,6-8H,4-5,9H2,1H3,(H,22,23)
InChIKeyHZPHMSKINSIBRP-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.12
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)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-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 115175874
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 9482433
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
2-(4-chloro-3-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18074796

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide (CID 45051439) is N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide is COc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is HZPHMSKINSIBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl4NO3/c1-24-15-3-2-10(6-12(15)19)4-5-22-16(23)9-25-17-13(20)7-11(18)8-14(17)21/h2-3,6-8H,4-5,9H2,1H3,(H,22,23).
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 423.12 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 45051439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).