N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide

C14H11Cl2NO3 — CID 893676

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H11Cl2NO3/c15-9-5-6-12(18)11(7-9)17-14(19)8-20-13-4-2-1-3-10(13)16/h1-7,18H,8H2,(H,17,19)
InChIKeyWDTITYMYYRYYCI-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.72
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide

N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide (PubChem CID 893676) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide
PubChem CID893676
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H11Cl2NO3/c15-9-5-6-12(18)11(7-9)17-14(19)8-20-13-4-2-1-3-10(13)16/h1-7,18H,8H2,(H,17,19)
InChIKeyWDTITYMYYRYYCI-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-chlorophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide (CID 893676) is N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide?
The InChIKey is WDTITYMYYRYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-9-5-6-12(18)11(7-9)17-14(19)8-20-13-4-2-1-3-10(13)16/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide has a molecular weight of 312.15 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 893676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).