N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide

C17H18ClNO3 — CID 808228

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-11-4-6-14(8-12(11)2)22-10-17(20)19-15-9-13(18)5-7-16(15)21-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWMSFFDJMUYKTTG-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.98
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 808228) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID808228
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-11-4-6-14(8-12(11)2)22-10-17(20)19-15-9-13(18)5-7-16(15)21-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWMSFFDJMUYKTTG-UHFFFAOYSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide (CID 808228) is N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is WMSFFDJMUYKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11-4-6-14(8-12(11)2)22-10-17(20)19-15-9-13(18)5-7-16(15)21-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 808228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).