N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide

C17H18ClNO4 — CID 51142104

IUPACN-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
SMILESCOc1cccc(OC)c1OCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO4/c1-21-14-7-4-8-15(22-2)17(14)23-11-16(20)19-10-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyGUJWJETUDRYTOF-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.05
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide

N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide (PubChem CID 51142104) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
PubChem CID51142104
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
SMILESCOc1cccc(OC)c1OCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO4/c1-21-14-7-4-8-15(22-2)17(14)23-11-16(20)19-10-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyGUJWJETUDRYTOF-UHFFFAOYSA-N
XLogP3.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7893268
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7568660
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
N-[2-(3-chlorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112995842
3-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 112788524

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide (CID 51142104) is N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide is COc1cccc(OC)c1OCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide?
The InChIKey is GUJWJETUDRYTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-21-14-7-4-8-15(22-2)17(14)23-11-16(20)19-10-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide?
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide has a molecular weight of 335.79 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 51142104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).