N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide

C17H17Cl2NO3 — CID 113102711

IUPACN-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCc1cc(OCCNC(=O)COc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-12-10-15(6-7-16(12)19)22-9-8-20-17(21)11-23-14-4-2-13(18)3-5-14/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyYQZRSRNNSMTXEB-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 113102711) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID113102711
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCc1cc(OCCNC(=O)COc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-12-10-15(6-7-16(12)19)22-9-8-20-17(21)11-23-14-4-2-13(18)3-5-14/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyYQZRSRNNSMTXEB-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 55747351
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N-[2-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 16978852

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide (CID 113102711) is N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide is Cc1cc(OCCNC(=O)COc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is YQZRSRNNSMTXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-12-10-15(6-7-16(12)19)22-9-8-20-17(21)11-23-14-4-2-13(18)3-5-14/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 354.23 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 113102711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).