4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid

C15H11Cl2NO4 — CID 2264067

IUPAC4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyCVQCJPCMPGKEDH-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.71
Rot. Bonds5

About 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid

4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid (PubChem CID 2264067) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
PubChem CID2264067
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyCVQCJPCMPGKEDH-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid (CID 2264067) is 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid is O=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
The InChIKey is CVQCJPCMPGKEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid?
4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid has a molecular weight of 340.16 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 2264067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).