N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide

C17H17Cl2NO4 — CID 7713902

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO4/c1-22-13-6-14(23-2)8-15(7-13)24-10-17(21)20-9-11-3-4-12(18)5-16(11)19/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyVDXMUFOEFXZHPU-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.71
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide (PubChem CID 7713902) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
PubChem CID7713902
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO4/c1-22-13-6-14(23-2)8-15(7-13)24-10-17(21)20-9-11-3-4-12(18)5-16(11)19/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyVDXMUFOEFXZHPU-UHFFFAOYSA-N
XLogP3.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
2-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33099359
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126128096
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide (CID 7713902) is N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide is COc1cc(OC)cc(OCC(=O)NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The InChIKey is VDXMUFOEFXZHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-22-13-6-14(23-2)8-15(7-13)24-10-17(21)20-9-11-3-4-12(18)5-16(11)19/h3-8H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide has a molecular weight of 370.23 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 7713902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).