4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid

C23H20N2O5 — CID 2329

IUPAC4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)
InChIKeySPPTWHFVYKCNNK-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.07
Rot. Bonds7

About 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid

4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid (PubChem CID 2329) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
PubChem CID2329
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)
InChIKeySPPTWHFVYKCNNK-UHFFFAOYSA-N
XLogP3.07
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid (CID 2329) is 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid?
The InChIKey is SPPTWHFVYKCNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30).
What are the key properties of 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid?
4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid has a molecular weight of 404.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid is sourced from PubChem (CID 2329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).