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

C22H16ClNO5 — CID 1300837

IUPAC4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H16ClNO5/c23-18-3-1-2-4-19(18)29-13-20(25)24-17-11-9-15(10-12-17)21(26)14-5-7-16(8-6-14)22(27)28/h1-12H,13H2,(H,24,25)(H,27,28)
InChIKeyHDILHAAOMMJKTE-UHFFFAOYSA-N
MW409.83 g/mol
LogP4.29
Rot. Bonds7

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

4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid (PubChem CID 1300837) has the molecular formula C22H16ClNO5 and a molecular weight of 409.83 g/mol. Its IUPAC name is 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid
PubChem CID1300837
Molecular FormulaC22H16ClNO5
Molecular Weight409.83 g/mol
Exact Mass409.07
IUPAC Name4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H16ClNO5/c23-18-3-1-2-4-19(18)29-13-20(25)24-17-11-9-15(10-12-17)21(26)14-5-7-16(8-6-14)22(27)28/h1-12H,13H2,(H,24,25)(H,27,28)
InChIKeyHDILHAAOMMJKTE-UHFFFAOYSA-N
XLogP4.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid?
The IUPAC name of 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid (CID 1300837) is 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid.
What is the SMILES notation for 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid?
The canonical SMILES for 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid is O=C(COc1ccccc1Cl)Nc1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid?
The InChIKey is HDILHAAOMMJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO5/c23-18-3-1-2-4-19(18)29-13-20(25)24-17-11-9-15(10-12-17)21(26)14-5-7-16(8-6-14)22(27)28/h1-12H,13H2,(H,24,25)(H,27,28).
What are the key properties of 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid?
4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid has a molecular weight of 409.83 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]benzoic acid is sourced from PubChem (CID 1300837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).