5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid

C17H14ClNO6 — CID 1330946

IUPAC5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
SMILESCC(=O)Oc1ccc(NC(=O)COc2ccccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C17H14ClNO6/c1-10(20)25-11-6-7-14(12(8-11)17(22)23)19-16(21)9-24-15-5-3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,21)(H,22,23)
InChIKeyVEOHEMTWKKQHAA-UHFFFAOYSA-N
MW363.75 g/mol
LogP2.98
Rot. Bonds6

About 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid

5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid (PubChem CID 1330946) has the molecular formula C17H14ClNO6 and a molecular weight of 363.75 g/mol. Its IUPAC name is 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
PubChem CID1330946
Molecular FormulaC17H14ClNO6
Molecular Weight363.75 g/mol
Exact Mass363.05
IUPAC Name5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
SMILESCC(=O)Oc1ccc(NC(=O)COc2ccccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C17H14ClNO6/c1-10(20)25-11-6-7-14(12(8-11)17(22)23)19-16(21)9-24-15-5-3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,21)(H,22,23)
InChIKeyVEOHEMTWKKQHAA-UHFFFAOYSA-N
XLogP2.98
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-chlorophenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093502
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
5-acetyloxy-2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 5058724
[3-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928034
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
5-acetyloxy-2-(2-phenylbutanoylamino)benzoic acid
CID 2995296
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388

Frequently Asked Questions

What is the IUPAC name of 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid (CID 1330946) is 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid is CC(=O)Oc1ccc(NC(=O)COc2ccccc2Cl)c(C(=O)O)c1.
What is the InChIKey of 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
The InChIKey is VEOHEMTWKKQHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO6/c1-10(20)25-11-6-7-14(12(8-11)17(22)23)19-16(21)9-24-15-5-3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid has a molecular weight of 363.75 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 1330946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).