2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid

C20H15NO5 — CID 44586799

IUPAC2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(O)cc(Oc2ccccc2)c1
InChIInChI=1S/C20H15NO5/c22-14-10-13(11-16(12-14)26-15-6-2-1-3-7-15)19(23)21-18-9-5-4-8-17(18)20(24)25/h1-12,22H,(H,21,23)(H,24,25)
InChIKeyNWGDDDASOFBJPV-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.14
Rot. Bonds5

About 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid

2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid (PubChem CID 44586799) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid
PubChem CID44586799
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(O)cc(Oc2ccccc2)c1
InChIInChI=1S/C20H15NO5/c22-14-10-13(11-16(12-14)26-15-6-2-1-3-7-15)19(23)21-18-9-5-4-8-17(18)20(24)25/h1-12,22H,(H,21,23)(H,24,25)
InChIKeyNWGDDDASOFBJPV-UHFFFAOYSA-N
XLogP4.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 736198
CID 736198
CID 11177309
CID 11177309
CID 11617732
CID 11617732
CID 11646494
CID 11646494
CID 590977
CID 590977
CID 1346502
CID 1346502
CID 11166601
CID 11166601
CID 11190026
CID 11190026
CID 11201791
CID 11201791
CID 11302521
CID 11302521
CID 11304773
CID 11304773
CID 11316956
CID 11316956

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid (CID 44586799) is 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(O)cc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid?
The InChIKey is NWGDDDASOFBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c22-14-10-13(11-16(12-14)26-15-6-2-1-3-7-15)19(23)21-18-9-5-4-8-17(18)20(24)25/h1-12,22H,(H,21,23)(H,24,25).
What are the key properties of 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid?
2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid has a molecular weight of 349.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-5-phenoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 44586799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).