N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide

C10H12ClNO3 — CID 886049

IUPACN-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-14-6-10(13)12-7-3-4-9(15-2)8(11)5-7/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyYXQGWDNWGWYUHL-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.93
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide

N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide (PubChem CID 886049) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
PubChem CID886049
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-14-6-10(13)12-7-3-4-9(15-2)8(11)5-7/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyYXQGWDNWGWYUHL-UHFFFAOYSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide (CID 886049) is N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide is COCC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide?
The InChIKey is YXQGWDNWGWYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-6-10(13)12-7-3-4-9(15-2)8(11)5-7/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide?
N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide has a molecular weight of 229.66 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide is sourced from PubChem (CID 886049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).