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

C26H19NO5 — CID 11418865

IUPAC2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(O)cc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H19NO5/c28-19-13-10-17(11-14-19)21-15-12-18(16-24(21)32-20-6-2-1-3-7-20)25(29)27-23-9-5-4-8-22(23)26(30)31/h1-16,28H,(H,27,29)(H,30,31)
InChIKeyNXEPOXSASDLOMN-UHFFFAOYSA-N
MW425.44 g/mol
LogP5.80
Rot. Bonds6

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

2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid (PubChem CID 11418865) has the molecular formula C26H19NO5 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid
PubChem CID11418865
Molecular FormulaC26H19NO5
Molecular Weight425.44 g/mol
Exact Mass425.13
IUPAC Name2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(O)cc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H19NO5/c28-19-13-10-17(11-14-19)21-15-12-18(16-24(21)32-20-6-2-1-3-7-20)25(29)27-23-9-5-4-8-22(23)26(30)31/h1-16,28H,(H,27,29)(H,30,31)
InChIKeyNXEPOXSASDLOMN-UHFFFAOYSA-N
XLogP5.80
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-phenoxy-4-(3-propan-2-ylphenyl)benzoyl]amino]benzoic acid
CID 11201791
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
CID 11990480
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
2-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
CID 921374
2-[[2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 5221354
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid (CID 11418865) is 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(O)cc2)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid?
The InChIKey is NXEPOXSASDLOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO5/c28-19-13-10-17(11-14-19)21-15-12-18(16-24(21)32-20-6-2-1-3-7-20)25(29)27-23-9-5-4-8-22(23)26(30)31/h1-16,28H,(H,27,29)(H,30,31).
What are the key properties of 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid?
2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid has a molecular weight of 425.44 g/mol, XLogP of 5.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-hydroxyphenyl)-3-phenoxybenzoyl]amino]benzoic acid is sourced from PubChem (CID 11418865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).