2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid

C21H15NO6 — CID 11291848

IUPAC2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1
InChIInChI=1S/C21H15NO6/c23-19(22-18-10-2-1-9-17(18)21(26)27)13-5-3-7-15(11-13)28-16-8-4-6-14(12-16)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyYRYPYMNMXARWCM-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.13
Rot. Bonds6

About 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid

2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid (PubChem CID 11291848) has the molecular formula C21H15NO6 and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid
PubChem CID11291848
Molecular FormulaC21H15NO6
Molecular Weight377.35 g/mol
Exact Mass377.09
IUPAC Name2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1
InChIInChI=1S/C21H15NO6/c23-19(22-18-10-2-1-9-17(18)21(26)27)13-5-3-7-15(11-13)28-16-8-4-6-14(12-16)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyYRYPYMNMXARWCM-UHFFFAOYSA-N
XLogP4.13
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid (CID 11291848) is 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid is O=C(O)c1cccc(Oc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1.
What is the InChIKey of 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid?
The InChIKey is YRYPYMNMXARWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO6/c23-19(22-18-10-2-1-9-17(18)21(26)27)13-5-3-7-15(11-13)28-16-8-4-6-14(12-16)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid?
2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid has a molecular weight of 377.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-carboxyphenoxy)benzoyl]amino]benzoic acid is sourced from PubChem (CID 11291848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).