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

C10H10ClNO4 — CID 59772130

IUPAC2-(2-acetamido-4-chlorophenoxy)acetic acid
SMILESCC(=O)Nc1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C10H10ClNO4/c1-6(13)12-8-4-7(11)2-3-9(8)16-5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyQOCCPQIORPAXPS-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.76
Rot. Bonds4

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

2-(2-acetamido-4-chlorophenoxy)acetic acid (PubChem CID 59772130) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-(2-acetamido-4-chlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-acetamido-4-chlorophenoxy)acetic acid
PubChem CID59772130
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-(2-acetamido-4-chlorophenoxy)acetic acid
SMILESCC(=O)Nc1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C10H10ClNO4/c1-6(13)12-8-4-7(11)2-3-9(8)16-5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyQOCCPQIORPAXPS-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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Related Compounds

N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide
CID 11358491
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
2-[2-(carbamoylamino)-4-chlorophenoxy]acetamide
CID 141161863
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
7-[2-(2-acetamido-4-chlorophenoxy)acetyl]-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 154373294
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
2-[4-chloro-2-(1-chloroethyl)phenoxy]acetic acid
CID 68981824
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-chlorophenoxy)acetic acid?
The IUPAC name of 2-(2-acetamido-4-chlorophenoxy)acetic acid (CID 59772130) is 2-(2-acetamido-4-chlorophenoxy)acetic acid.
What is the SMILES notation for 2-(2-acetamido-4-chlorophenoxy)acetic acid?
The canonical SMILES for 2-(2-acetamido-4-chlorophenoxy)acetic acid is CC(=O)Nc1cc(Cl)ccc1OCC(=O)O.
What is the InChIKey of 2-(2-acetamido-4-chlorophenoxy)acetic acid?
The InChIKey is QOCCPQIORPAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-6(13)12-8-4-7(11)2-3-9(8)16-5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-acetamido-4-chlorophenoxy)acetic acid?
2-(2-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-(2-acetamido-4-chlorophenoxy)acetic acid is sourced from PubChem (CID 59772130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).