N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide

C15H14ClNO4 — CID 836087

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClNO4/c1-20-11-3-5-12(6-4-11)21-9-15(19)17-13-8-10(16)2-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyLVTKNJQNVGDFQH-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.07
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide

N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 836087) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide
PubChem CID836087
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClNO4/c1-20-11-3-5-12(6-4-11)21-9-15(19)17-13-8-10(16)2-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyLVTKNJQNVGDFQH-UHFFFAOYSA-N
XLogP3.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide (CID 836087) is N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is LVTKNJQNVGDFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-11-3-5-12(6-4-11)21-9-15(19)17-13-8-10(16)2-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 307.73 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 836087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).