2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide

C17H17Cl2NO3 — CID 43908495

IUPAC2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-2-22-14-5-3-4-12(8-14)10-20-17(21)11-23-16-7-6-13(18)9-15(16)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyUBVMNDBTLPPVHQ-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.09
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide (PubChem CID 43908495) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
PubChem CID43908495
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-2-22-14-5-3-4-12(8-14)10-20-17(21)11-23-16-7-6-13(18)9-15(16)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyUBVMNDBTLPPVHQ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33013614
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55712262
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide (CID 43908495) is 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide is CCOc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide?
The InChIKey is UBVMNDBTLPPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-2-22-14-5-3-4-12(8-14)10-20-17(21)11-23-16-7-6-13(18)9-15(16)19/h3-9H,2,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide has a molecular weight of 354.23 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 43908495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).