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

C20H14FNO4 — CID 11233439

IUPAC2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C20H14FNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyOPLSSBDEHIIFAG-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.57
Rot. Bonds5

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

2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid (PubChem CID 11233439) has the molecular formula C20H14FNO4 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid
PubChem CID11233439
Molecular FormulaC20H14FNO4
Molecular Weight351.33 g/mol
Exact Mass351.09
IUPAC Name2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C20H14FNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyOPLSSBDEHIIFAG-UHFFFAOYSA-N
XLogP4.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid (CID 11233439) is 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid?
The InChIKey is OPLSSBDEHIIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid?
2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid has a molecular weight of 351.33 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-phenoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 11233439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).