2-(3-acetamido-4-chlorophenoxy)acetic acid

C10H10ClNO4 — CID 23274401

IUPAC2-(3-acetamido-4-chlorophenoxy)acetic acid
SMILESCC(=O)Nc1cc(OCC(=O)O)ccc1Cl
InChIInChI=1S/C10H10ClNO4/c1-6(13)12-9-4-7(2-3-8(9)11)16-5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyWBFSQLMNQYDPLC-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-acetamido-4-chlorophenoxy)acetic acid

2-(3-acetamido-4-chlorophenoxy)acetic acid (PubChem CID 23274401) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-(3-acetamido-4-chlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-acetamido-4-chlorophenoxy)acetic acid
PubChem CID23274401
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-(3-acetamido-4-chlorophenoxy)acetic acid
SMILESCC(=O)Nc1cc(OCC(=O)O)ccc1Cl
InChIInChI=1S/C10H10ClNO4/c1-6(13)12-9-4-7(2-3-8(9)11)16-5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyWBFSQLMNQYDPLC-UHFFFAOYSA-N
XLogP1.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-chlorophenoxy)acetic acid?
The IUPAC name of 2-(3-acetamido-4-chlorophenoxy)acetic acid (CID 23274401) is 2-(3-acetamido-4-chlorophenoxy)acetic acid.
What is the SMILES notation for 2-(3-acetamido-4-chlorophenoxy)acetic acid?
The canonical SMILES for 2-(3-acetamido-4-chlorophenoxy)acetic acid is CC(=O)Nc1cc(OCC(=O)O)ccc1Cl.
What is the InChIKey of 2-(3-acetamido-4-chlorophenoxy)acetic acid?
The InChIKey is WBFSQLMNQYDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-6(13)12-9-4-7(2-3-8(9)11)16-5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-acetamido-4-chlorophenoxy)acetic acid?
2-(3-acetamido-4-chlorophenoxy)acetic acid has a molecular weight of 243.65 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-chlorophenoxy)acetic acid is sourced from PubChem (CID 23274401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).